CID 135440527

2-quinolinepyruvic acid, ethyl ester

Structural Information

Molecular Formula
C14H13NO3
SMILES
CCOC(=O)/C(=C\C1=NC2=CC=CC=C2C=C1)/O
InChI
InChI=1S/C14H13NO3/c1-2-18-14(17)13(16)9-11-8-7-10-5-3-4-6-12(10)15-11/h3-9,16H,2H2,1H3/b13-9+
InChIKey
GSWNXPRDXBUMJX-UKTHLTGXSA-N
Compound name
ethyl (E)-2-hydroxy-3-quinolin-2-ylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.08954 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.09682 153.8
[M+Na]+ 266.07876 161.0
[M-H]- 242.08226 155.4
[M+NH4]+ 261.12336 170.1
[M+K]+ 282.05270 157.5
[M+H-H2O]+ 226.08680 146.6
[M+HCOO]- 288.08774 172.8
[M+CH3COO]- 302.10339 189.9
[M+Na-2H]- 264.06421 159.1
[M]+ 243.08899 154.8
[M]- 243.09009 154.8
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.