CID 165941006

2680540-54-7

Structural Information

Molecular Formula
C13H13NO3
SMILES
C=CC(=O)N1CCCC2=C1C=C(C=C2)C(=O)O
InChI
InChI=1S/C13H13NO3/c1-2-12(15)14-7-3-4-9-5-6-10(13(16)17)8-11(9)14/h2,5-6,8H,1,3-4,7H2,(H,16,17)
InChIKey
WESIBFWGJZIXHM-UHFFFAOYSA-N
Compound name
1-prop-2-enoyl-3,4-dihydro-2H-quinoline-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.08954 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.09682 149.8
[M+Na]+ 254.07876 156.5
[M-H]- 230.08226 151.2
[M+NH4]+ 249.12336 166.6
[M+K]+ 270.05270 153.1
[M+H-H2O]+ 214.08680 143.2
[M+HCOO]- 276.08774 166.4
[M+CH3COO]- 290.10339 188.7
[M+Na-2H]- 252.06421 153.1
[M]+ 231.08899 147.4
[M]- 231.09009 147.4
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.