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)-2-pyridinyl]acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

326
Patents

157.064 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.071276 143.7
[M+Na]+ 180.053218 153.5
[M-H]- 156.056724 145.9
[M+NH4]+ 175.097823 156.4
[M+K]+ 196.027158 150.3
[M+H-H2O]+ 140.061260 127.9
[M+HCOO]- 202.062201 156.1
[M+CH3COO]- 216.077851 211.8
[M+Na-2H]- 178.038666 147.6
[M]+ 157.06345142 135.9
[M]- 157.06454858 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