CID 56361

92224-62-9

Structural Information

Molecular Formula
C7H15N2
SMILES
C[N+](C)(C)CCCC#N
InChI
InChI=1S/C7H15N2/c1-9(2,3)7-5-4-6-8/h4-5,7H2,1-3H3/q+1
InChIKey
WKFULGZATJJTRQ-UHFFFAOYSA-N
Compound name
3-cyanopropyl(trimethyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

127.12352 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.13080 127.0
[M+Na]+ 150.11274 135.6
[M-H]- 126.11624 129.5
[M+NH4]+ 145.15734 147.7
[M+K]+ 166.08668 131.2
[M+H-H2O]+ 110.12078 118.8
[M+HCOO]- 172.12172 147.6
[M+CH3COO]- 186.13737 186.1
[M+Na-2H]- 148.09819 136.6
[M]+ 127.12297 122.7
[M]- 127.12407 122.7
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

patents stripe