CID 940260

2-(2-oxopyridin-1(2h)-yl)acetonitrile

Structural Information

Molecular Formula
C7H6N2O
SMILES
C1=CC(=O)N(C=C1)CC#N
InChI
InChI=1S/C7H6N2O/c8-4-6-9-5-2-1-3-7(9)10/h1-3,5H,6H2
InChIKey
DWDWZOINPDAWBD-UHFFFAOYSA-N
Compound name
2-(2-oxo-1-pyridinyl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

10
Patents

134.04802 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.055296 123.7
[M+Na]+ 157.037238 134.8
[M-H]- 133.040744 125.9
[M+NH4]+ 152.081843 142.2
[M+K]+ 173.011178 132.4
[M+H-H2O]+ 117.045280 111.0
[M+HCOO]- 179.046221 144.3
[M+CH3COO]- 193.061871 184.7
[M+Na-2H]- 155.022686 131.8
[M]+ 134.04747142 119.3
[M]- 134.04856858 119.3
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