PubChemLite - 1678-55-3 (C40H80N12P4)

Structural Information

Molecular Formula

SMILES

C1CCN(CC1)P2(=NP(=NP(=NP(=N2)(N3CCCCC3)N4CCCCC4)(N5CCCCC5)N6CCCCC6)(N7CCCCC7)N8CCCCC8)N9CCCCC9

InChI

InChI=1S/C40H80N12P4/c1-9-25-45(26-10-1)53(46-27-11-2-12-28-46)41-54(47-29-13-3-14-30-47,48-31-15-4-16-32-48)43-56(51-37-21-7-22-38-51,52-39-23-8-24-40-52)44-55(42-53,49-33-17-5-18-34-49)50-35-19-6-20-36-50/h1-40H2

InChIKey

ODNIINMHKKAIBD-UHFFFAOYSA-N

Compound name

2,2,4,4,6,6,8,8-octa(piperidin-1-yl)-1,3,5,7-tetraza-2lambda5,4lambda5,6lambda5,8lambda5-tetraphosphacycloocta-1,3,5,7-tetraene

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	853.56518	210.6
[M+Na]+	875.54712	203.7
[M-H]-	851.55062	208.4
[M+NH4]+	870.59172	202.3
[M+K]+	891.52106	202.8
[M+H-H2O]+	835.55516	192.0
[M+HCOO]-	897.55610	206.6
[M+CH3COO]-	911.57175	203.4
[M+Na-2H]-	873.53257	196.3
[M]+	852.55735	194.7
[M]-	852.55845	194.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

853.56518

210.6

[M+Na]+

875.54712

203.7

[M-H]-

851.55062

208.4

[M+NH4]+

870.59172

202.3

[M+K]+

891.52106

202.8

[M+H-H2O]+

835.55516

192.0

[M+HCOO]-

897.55610

206.6

[M+CH3COO]-

911.57175

203.4

[M+Na-2H]-

873.53257

196.3

[M]+

852.55735

194.7

[M]-

852.55845

194.7

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

1678-55-3

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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