CID 75176250

1289194-02-0

Structural Information

Molecular Formula
C7H7NO2
SMILES
CC1=CC(=CNC1=O)C=O
InChI
InChI=1S/C7H7NO2/c1-5-2-6(4-9)3-8-7(5)10/h2-4H,1H3,(H,8,10)
InChIKey
RZSDICQRAWACOU-UHFFFAOYSA-N
Compound name
5-methyl-6-oxo-1H-pyridine-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

137.04768 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.054956 122.8
[M+Na]+ 160.036898 133.2
[M-H]- 136.040404 124.7
[M+NH4]+ 155.081503 143.1
[M+K]+ 176.010838 130.6
[M+H-H2O]+ 120.044940 117.4
[M+HCOO]- 182.045881 146.2
[M+CH3COO]- 196.061531 169.8
[M+Na-2H]- 158.022346 130.4
[M]+ 137.04713142 122.9
[M]- 137.04822858 122.9
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