CID 12331406

1-methyl-6-oxo-1,6-dihydropyridine-2-carbaldehyde

Structural Information

Molecular Formula
C7H7NO2
SMILES
CN1C(=O)C=CC=C1C=O
InChI
InChI=1S/C7H7NO2/c1-8-6(5-9)3-2-4-7(8)10/h2-5H,1H3
InChIKey
RLNCRKXZJJZUOU-UHFFFAOYSA-N
Compound name
1-methyl-6-oxopyridine-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
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 121.7
[M+Na]+ 160.03690 132.5
[M-H]- 136.04040 125.0
[M+NH4]+ 155.08150 142.7
[M+K]+ 176.01084 130.9
[M+H-H2O]+ 120.04494 116.0
[M+HCOO]- 182.04588 146.6
[M+CH3COO]- 196.06153 172.5
[M+Na-2H]- 158.02235 129.8
[M]+ 137.04713 123.7
[M]- 137.04823 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