CID 7131269

871673-06-2

Structural Information

Molecular Formula
C12H13NO4
SMILES
C1CC(=O)N(C1)C2=CC=C(C=C2)OCC(=O)O
InChI
InChI=1S/C12H13NO4/c14-11-2-1-7-13(11)9-3-5-10(6-4-9)17-8-12(15)16/h3-6H,1-2,7-8H2,(H,15,16)
InChIKey
ZJAZOQRDYBOLBW-UHFFFAOYSA-N
Compound name
2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

235.08446 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.09174 150.1
[M+Na]+ 258.07368 156.7
[M-H]- 234.07718 154.0
[M+NH4]+ 253.11828 167.2
[M+K]+ 274.04762 154.4
[M+H-H2O]+ 218.08172 142.9
[M+HCOO]- 280.08266 170.4
[M+CH3COO]- 294.09831 186.4
[M+Na-2H]- 256.05913 151.8
[M]+ 235.08391 149.5
[M]- 235.08501 149.5
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