CID 56785

94600-92-7

Structural Information

Molecular Formula
C8H14N3
SMILES
C[N+](C)(CCC#N)CCC#N
InChI
InChI=1S/C8H14N3/c1-11(2,7-3-5-9)8-4-6-10/h3-4,7-8H2,1-2H3/q+1
InChIKey
HMRUNCJCSNBNMF-UHFFFAOYSA-N
Compound name
bis(2-cyanoethyl)-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

152.11877 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.12605 147.4
[M+Na]+ 175.10799 155.6
[M-H]- 151.11149 150.6
[M+NH4]+ 170.15259 161.7
[M+K]+ 191.08193 151.8
[M+H-H2O]+ 135.11603 135.0
[M+HCOO]- 197.11697 160.3
[M+CH3COO]- 211.13262 211.6
[M+Na-2H]- 173.09344 152.5
[M]+ 152.11822 140.0
[M]- 152.11932 140.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.