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]+ 216.065516 143.3
[M+Na]+ 238.047458 152.9
[M-H]- 214.050964 147.0
[M+NH4]+ 233.092063 161.8
[M+K]+ 254.021398 150.3
[M+H-H2O]+ 198.055500 136.3
[M+HCOO]- 260.056441 165.5
[M+CH3COO]- 274.072091 187.3
[M+Na-2H]- 236.032906 150.7
[M]+ 215.05769142 146.5
[M]- 215.05878858 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.