CID 125511631

Methyl 4-formylquinoline-8-carboxylate

Structural Information

Molecular Formula
C12H9NO3
SMILES
COC(=O)C1=CC=CC2=C(C=CN=C21)C=O
InChI
InChI=1S/C12H9NO3/c1-16-12(15)10-4-2-3-9-8(7-14)5-6-13-11(9)10/h2-7H,1H3
InChIKey
PVSREZRTSGTDRM-UHFFFAOYSA-N
Compound name
methyl 4-formylquinoline-8-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.05824 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.06552 144.4
[M+Na]+ 238.04746 158.7
[M+NH4]+ 233.09206 152.3
[M+K]+ 254.02140 152.1
[M-H]- 214.05096 146.0
[M+Na-2H]- 236.03291 151.1
[M]+ 215.05769 146.8
[M]- 215.05879 146.8
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.