CID 431691

1-(cyanomethyl)pyridinium chloride

Structural Information

Molecular Formula
C7H7N2
SMILES
C1=CC=[N+](C=C1)CC#N
InChI
InChI=1S/C7H7N2/c8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,7H2/q+1
InChIKey
PBIZDZQRODMMPZ-UHFFFAOYSA-N
Compound name
2-pyridin-1-ium-1-ylacetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

135
Patents

119.06092 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 120.06820 123.8
[M+Na]+ 142.05014 133.9
[M-H]- 118.05364 125.9
[M+NH4]+ 137.09474 142.4
[M+K]+ 158.02408 126.6
[M+H-H2O]+ 102.05818 113.6
[M+HCOO]- 164.05912 143.7
[M+CH3COO]- 178.07477 177.0
[M+Na-2H]- 140.03559 134.3
[M]+ 119.06037 117.3
[M]- 119.06147 117.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe