CID 203790

15201-08-8

Structural Information

Molecular Formula
C8H9N2
SMILES
C1=CC=[N+](C=C1)CCC#N
InChI
InChI=1S/C8H9N2/c9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4,8H2/q+1
InChIKey
JZICIFQPUAQIKA-UHFFFAOYSA-N
Compound name
3-pyridin-1-ium-1-ylpropanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

133.07657 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.083846 127.9
[M+Na]+ 156.065788 137.6
[M-H]- 132.069294 129.8
[M+NH4]+ 151.110393 146.0
[M+K]+ 172.039728 130.1
[M+H-H2O]+ 116.073830 117.5
[M+HCOO]- 178.074771 147.5
[M+CH3COO]- 192.090421 179.7
[M+Na-2H]- 154.051236 138.0
[M]+ 133.07602142 121.7
[M]- 133.07711858 121.7
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