CID 3373117

1-(4-methoxyphenyl)-2-oxopyrrolidine-3-carboxylic acid

Structural Information

Molecular Formula
C12H13NO4
SMILES
COC1=CC=C(C=C1)N2CCC(C2=O)C(=O)O
InChI
InChI=1S/C12H13NO4/c1-17-9-4-2-8(3-5-9)13-7-6-10(11(13)14)12(15)16/h2-5,10H,6-7H2,1H3,(H,15,16)
InChIKey
AIMIQQQEWMWGNW-UHFFFAOYSA-N
Compound name
1-(4-methoxyphenyl)-2-oxopyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

235.08446 Da
Monoisotopic Mass

1.7
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

No literature data available for this compound.

Patent stripe

patents stripe