CID 4344448

1-(2-methoxyphenyl)-2-oxo-3-pyrrolidinecarboxylic acid

Structural Information

Molecular Formula
C12H13NO4
SMILES
COC1=CC=CC=C1N2CCC(C2=O)C(=O)O
InChI
InChI=1S/C12H13NO4/c1-17-10-5-3-2-4-9(10)13-7-6-8(11(13)14)12(15)16/h2-5,8H,6-7H2,1H3,(H,15,16)
InChIKey
QMNGUAWXPGHDJO-UHFFFAOYSA-N
Compound name
1-(2-methoxyphenyl)-2-oxopyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
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 149.6
[M+Na]+ 258.07368 157.2
[M-H]- 234.07718 154.0
[M+NH4]+ 253.11828 167.0
[M+K]+ 274.04762 154.9
[M+H-H2O]+ 218.08172 142.8
[M+HCOO]- 280.08266 169.9
[M+CH3COO]- 294.09831 187.6
[M+Na-2H]- 256.05913 150.7
[M]+ 235.08391 149.4
[M]- 235.08501 149.4
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