CID 144885

79138-28-6

Structural Information

Molecular Formula
C7H7NO2
SMILES
CN1C=CC=C(C1=O)C=O
InChI
InChI=1S/C7H7NO2/c1-8-4-2-3-6(5-9)7(8)10/h2-5H,1H3
InChIKey
XOMXAUOIYFSKIE-UHFFFAOYSA-N
Compound name
1-methyl-2-oxopyridine-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

119
Patents

137.04768 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.05496 124.2
[M+Na]+ 160.03690 138.3
[M+NH4]+ 155.08150 132.3
[M+K]+ 176.01084 132.2
[M-H]- 136.04040 125.5
[M+Na-2H]- 158.02235 131.5
[M]+ 137.04713 126.5
[M]- 137.04823 126.5
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