CID 6479254

Chembl170097

Structural Information

Molecular Formula
C14H13NO2
SMILES
CC1=CC2=C(C=C1)N=C(C=C2)/C=C/C(=O)OC
InChI
InChI=1S/C14H13NO2/c1-10-3-7-13-11(9-10)4-5-12(15-13)6-8-14(16)17-2/h3-9H,1-2H3/b8-6+
InChIKey
KMSVPVIAIXSFBC-SOFGYWHQSA-N
Compound name
methyl (E)-3-(6-methylquinolin-2-yl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

227.09464 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.10192 149.8
[M+Na]+ 250.08386 158.8
[M-H]- 226.08736 153.2
[M+NH4]+ 245.12846 168.0
[M+K]+ 266.05780 155.1
[M+H-H2O]+ 210.09190 142.7
[M+HCOO]- 272.09284 171.2
[M+CH3COO]- 286.10849 190.6
[M+Na-2H]- 248.06931 156.1
[M]+ 227.09409 152.3
[M]- 227.09519 152.3
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.