CID 14293890

94170-15-7

Structural Information

Molecular Formula
C7H7NO2
SMILES
CN1C=CC(=CC1=O)C=O
InChI
InChI=1S/C7H7NO2/c1-8-3-2-6(5-9)4-7(8)10/h2-5H,1H3
InChIKey
UYQGRCCIACNIES-UHFFFAOYSA-N
Compound name
1-methyl-2-oxopyridine-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

64
Patents

137.04768 Da
Monoisotopic Mass

-0.4
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

No literature data available for this compound.

Patent stripe

patents stripe