CID 421738

Methyl quinoline-2-carboxylate

Structural Information

Molecular Formula
C11H9NO2
SMILES
COC(=O)C1=NC2=CC=CC=C2C=C1
InChI
InChI=1S/C11H9NO2/c1-14-11(13)10-7-6-8-4-2-3-5-9(8)12-10/h2-7H,1H3
InChIKey
CILJSZLWPHTUIP-UHFFFAOYSA-N
Compound name
methyl quinoline-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

435
Patents

187.06332 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.070596 137.1
[M+Na]+ 210.052538 146.1
[M-H]- 186.056044 140.6
[M+NH4]+ 205.097143 156.6
[M+K]+ 226.026478 143.7
[M+H-H2O]+ 170.060580 130.2
[M+HCOO]- 232.061521 159.3
[M+CH3COO]- 246.077171 181.9
[M+Na-2H]- 208.037986 145.8
[M]+ 187.06277142 138.9
[M]- 187.06386858 138.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe