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]+ 134.08385 127.9
[M+Na]+ 156.06579 137.6
[M-H]- 132.06929 129.8
[M+NH4]+ 151.11039 146.0
[M+K]+ 172.03973 130.1
[M+H-H2O]+ 116.07383 117.5
[M+HCOO]- 178.07477 147.5
[M+CH3COO]- 192.09042 179.7
[M+Na-2H]- 154.05124 138.0
[M]+ 133.07602 121.7
[M]- 133.07712 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