CID 86695785

1227601-46-8

Structural Information

Molecular Formula
C7H7NO2
SMILES
CC1=C(C=CC(=O)N1)C=O
InChI
InChI=1S/C7H7NO2/c1-5-6(4-9)2-3-7(10)8-5/h2-4H,1H3,(H,8,10)
InChIKey
QLXPFQCSBMOUNX-UHFFFAOYSA-N
Compound name
2-methyl-6-oxo-1H-pyridine-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

137.04768 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.05496 122.8
[M+Na]+ 160.03690 133.2
[M-H]- 136.04040 124.7
[M+NH4]+ 155.08150 143.1
[M+K]+ 176.01084 130.6
[M+H-H2O]+ 120.04494 117.4
[M+HCOO]- 182.04588 146.2
[M+CH3COO]- 196.06153 169.8
[M+Na-2H]- 158.02235 130.4
[M]+ 137.04713 122.9
[M]- 137.04823 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