CID 177798503

Methyl 3-formylquinoline-2-carboxylate

Structural Information

Molecular Formula
C12H9NO3
SMILES
COC(=O)C1=NC2=CC=CC=C2C=C1C=O
InChI
InChI=1S/C12H9NO3/c1-16-12(15)11-9(7-14)6-8-4-2-3-5-10(8)13-11/h2-7H,1H3
InChIKey
FKQBZDANEOJBSW-UHFFFAOYSA-N
Compound name
methyl 3-formylquinoline-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.05824 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.06552 143.3
[M+Na]+ 238.04746 152.9
[M-H]- 214.05096 147.0
[M+NH4]+ 233.09206 161.8
[M+K]+ 254.02140 150.3
[M+H-H2O]+ 198.05550 136.3
[M+HCOO]- 260.05644 165.5
[M+CH3COO]- 274.07209 187.3
[M+Na-2H]- 236.03291 150.7
[M]+ 215.05769 146.5
[M]- 215.05879 146.5
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

No patent data available for this compound.