CID 28760321

1000932-52-4

Structural Information

Molecular Formula
C13H13NO3
SMILES
C1CC1NC(=O)C2=CC=C(C=C2)/C=C/C(=O)O
InChI
InChI=1S/C13H13NO3/c15-12(16)8-3-9-1-4-10(5-2-9)13(17)14-11-6-7-11/h1-5,8,11H,6-7H2,(H,14,17)(H,15,16)/b8-3+
InChIKey
FFXXWFKUBVGRPU-FPYGCLRLSA-N
Compound name
(E)-3-[4-(cyclopropylcarbamoyl)phenyl]prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.08954 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.09682 147.9
[M+Na]+ 254.07876 155.5
[M-H]- 230.08226 154.1
[M+NH4]+ 249.12336 160.0
[M+K]+ 270.05270 151.1
[M+H-H2O]+ 214.08680 141.3
[M+HCOO]- 276.08774 170.5
[M+CH3COO]- 290.10339 192.3
[M+Na-2H]- 252.06421 151.5
[M]+ 231.08899 149.2
[M]- 231.09009 149.2
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.