CID 77919

4241-27-4

Structural Information

Molecular Formula
C7H6N2O
SMILES
CC1=CC=C(C(=O)N1)C#N
InChI
InChI=1S/C7H6N2O/c1-5-2-3-6(4-8)7(10)9-5/h2-3H,1H3,(H,9,10)
InChIKey
FIMGYEKEYXUTGD-UHFFFAOYSA-N
Compound name
6-methyl-2-oxo-1H-pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

290
Patents

134.04802 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.05530 125.1
[M+Na]+ 157.03724 136.7
[M-H]- 133.04074 126.5
[M+NH4]+ 152.08184 143.3
[M+K]+ 173.01118 133.6
[M+H-H2O]+ 117.04528 113.0
[M+HCOO]- 179.04622 144.4
[M+CH3COO]- 193.06187 183.3
[M+Na-2H]- 155.02269 132.0
[M]+ 134.04747 119.4
[M]- 134.04857 119.4
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