CID 91636357

Methyl 2-(quinolin-2-yl)propanoate

Structural Information

Molecular Formula
C13H13NO2
SMILES
CC(C1=NC2=CC=CC=C2C=C1)C(=O)OC
InChI
InChI=1S/C13H13NO2/c1-9(13(15)16-2)11-8-7-10-5-3-4-6-12(10)14-11/h3-9H,1-2H3
InChIKey
IAYFPOZMSYZJRQ-UHFFFAOYSA-N
Compound name
methyl 2-quinolin-2-ylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.09464 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.10192 146.6
[M+Na]+ 238.08386 160.4
[M+NH4]+ 233.12846 155.1
[M+K]+ 254.05780 153.8
[M-H]- 214.08736 148.7
[M+Na-2H]- 236.06931 153.6
[M]+ 215.09409 149.2
[M]- 215.09519 149.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

Patent stripe

No patent data available for this compound.