CID 582692

46133-38-4

Structural Information

Molecular Formula
C9H7N3
SMILES
C1=CC(=NC(=C1)CC#N)CC#N
InChI
InChI=1S/C9H7N3/c10-6-4-8-2-1-3-9(12-8)5-7-11/h1-3H,4-5H2
InChIKey
ZSLMXJLUZXSZAF-UHFFFAOYSA-N
Compound name
2-[6-(cyanomethyl)pyridin-2-yl]acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

220
Patents

157.064 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.07128 143.7
[M+Na]+ 180.05322 153.5
[M-H]- 156.05672 145.9
[M+NH4]+ 175.09782 156.4
[M+K]+ 196.02716 150.3
[M+H-H2O]+ 140.06126 127.9
[M+HCOO]- 202.06220 156.1
[M+CH3COO]- 216.07785 211.8
[M+Na-2H]- 178.03867 147.6
[M]+ 157.06345 135.9
[M]- 157.06455 135.9
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