PubChemLite - 89631-66-3 (C8H24N9P3)

Structural Information

Molecular Formula

C₈H₂₄N₉P₃

SMILES

CN[P@@]1(=N[P@](=NP(=N1)(NC)NC)(NC)N2CC2)N3CC3

InChI

InChI=1S/C8H24N9P3/c1-9-18(10-2)13-19(11-3,16-5-6-16)15-20(12-4,14-18)17-7-8-17/h9-12H,5-8H2,1-4H3/t19-,20-/m1/s1

InChIKey

AWFLVMILNQNDCC-WOJBJXKFSA-N

Compound name

(4R,6S)-4,6-bis(aziridin-1-yl)-2-N,2-N',4-N,6-N-tetramethyl-1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-1,3,5-triene-2,2,4,6-tetramine

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]+	340.14403	193.6
[M+Na]+	362.12597	199.2
[M-H]-	338.12947	194.6
[M+NH4]+	357.17057	196.2
[M+K]+	378.09991	198.7
[M+H-H2O]+	322.13401	182.8
[M+HCOO]-	384.13495	223.3
[M+CH3COO]-	398.15060	228.0
[M+Na-2H]-	360.11142	193.0
[M]+	339.13620	197.6
[M]-	339.13730	197.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

340.14403

193.6

[M+Na]+

362.12597

199.2

[M-H]-

338.12947

194.6

[M+NH4]+

357.17057

196.2

[M+K]+

378.09991

198.7

[M+H-H2O]+

322.13401

182.8

[M+HCOO]-

384.13495

223.3

[M+CH3COO]-

398.15060

228.0

[M+Na-2H]-

360.11142

193.0

[M]+

339.13620

197.6

[M]-

339.13730

197.6

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

89631-66-3

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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