CID 56758

94406-79-8

Structural Information

Molecular Formula

C₁₀H₁₈N₃

SMILES

C[N+](C)(CCCC#N)CCCC#N

InChI

InChI=1S/C10H18N3/c1-13(2,9-5-3-7-11)10-6-4-8-12/h3-6,9-10H2,1-2H3/q+1

InChIKey

QGJBOZXOWNHLAI-UHFFFAOYSA-N

Compound name

bis(3-cyanopropyl)-dimethylazanium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 180.15007 Da
Monoisotopic Mass: 0.4
XlogP (predicted)

Profile

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]+	181.15735	152.9
[M+Na]+	203.13929	160.5
[M-H]-	179.14279	155.8
[M+NH4]+	198.18389	166.4
[M+K]+	219.11323	156.4
[M+H-H2O]+	163.14733	140.2
[M+HCOO]-	225.14827	165.4
[M+CH3COO]-	239.16392	215.5
[M+Na-2H]-	201.12474	157.4
[M]+	180.14952	146.0
[M]-	180.15062	146.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.