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

104
Patents

137.04768 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.054956 121.7
[M+Na]+ 160.036898 132.5
[M-H]- 136.040404 125.0
[M+NH4]+ 155.081503 142.7
[M+K]+ 176.010838 130.9
[M+H-H2O]+ 120.044940 116.0
[M+HCOO]- 182.045881 146.6
[M+CH3COO]- 196.061531 172.5
[M+Na-2H]- 158.022346 129.8
[M]+ 137.04713142 123.7
[M]- 137.04822858 123.7
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