CID 10513684

(2e)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enoic acid

Structural Information

Molecular Formula
C13H13NO3
SMILES
C1CC(=O)N(C1)C2=CC=C(C=C2)/C=C/C(=O)O
InChI
InChI=1S/C13H13NO3/c15-12-2-1-9-14(12)11-6-3-10(4-7-11)5-8-13(16)17/h3-8H,1-2,9H2,(H,16,17)/b8-5+
InChIKey
SMWOSZUZMNXRKC-VMPITWQZSA-N
Compound name
(E)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

231.08954 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.09682 151.2
[M+Na]+ 254.07876 157.9
[M-H]- 230.08226 155.1
[M+NH4]+ 249.12336 168.6
[M+K]+ 270.05270 154.2
[M+H-H2O]+ 214.08680 144.1
[M+HCOO]- 276.08774 171.2
[M+CH3COO]- 290.10339 185.8
[M+Na-2H]- 252.06421 152.2
[M]+ 231.08899 148.7
[M]- 231.09009 148.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe