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-oxopyridin-1-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

5
Patents

134.04802 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.05530 123.7
[M+Na]+ 157.03724 134.8
[M-H]- 133.04074 125.9
[M+NH4]+ 152.08184 142.2
[M+K]+ 173.01118 132.4
[M+H-H2O]+ 117.04528 111.0
[M+HCOO]- 179.04622 144.3
[M+CH3COO]- 193.06187 184.7
[M+Na-2H]- 155.02269 131.8
[M]+ 134.04747 119.3
[M]- 134.04857 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