CID 165941006

1-(prop-2-enoyl)-1,2,3,4-tetrahydroquinoline-7-carboxylic acid

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 151.0
[M+Na]+ 254.07876 162.3
[M+NH4]+ 249.12336 157.8
[M+K]+ 270.05270 157.0
[M-H]- 230.08226 151.1
[M+Na-2H]- 252.06421 154.5
[M]+ 231.08899 152.3
[M]- 231.09009 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.