CID 2736758

56617-47-1

Structural Information

Molecular Formula
C12H13NO4
SMILES
COC1=CC=C(C=C1)N2CC(CC2=O)C(=O)O
InChI
InChI=1S/C12H13NO4/c1-17-10-4-2-9(3-5-10)13-7-8(12(15)16)6-11(13)14/h2-5,8H,6-7H2,1H3,(H,15,16)
InChIKey
JIKAEHOGWAHVIJ-UHFFFAOYSA-N
Compound name
1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

16
Patents

235.08446 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.09174 151.6
[M+Na]+ 258.07368 162.2
[M+NH4]+ 253.11828 158.0
[M+K]+ 274.04762 159.7
[M-H]- 234.07718 152.5
[M+Na-2H]- 256.05913 156.0
[M]+ 235.08391 153.0
[M]- 235.08501 153.0
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