CID 155543713

Chembl4525769

Structural Information

Molecular Formula
C11H12N2O3
SMILES
C1[C@@H](NC(=O)N1CC(=O)O)C2=CC=CC=C2
InChI
InChI=1S/C11H12N2O3/c14-10(15)7-13-6-9(12-11(13)16)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,16)(H,14,15)/t9-/m1/s1
InChIKey
SWLQYKBSDGZXKU-SECBINFHSA-N
Compound name
2-[(4S)-2-oxo-4-phenylimidazolidin-1-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.0848 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.09208 149.3
[M+Na]+ 243.07402 159.4
[M+NH4]+ 238.11862 155.2
[M+K]+ 259.04796 156.9
[M-H]- 219.07752 149.3
[M+Na-2H]- 241.05947 153.5
[M]+ 220.08425 150.2
[M]- 220.08535 150.2
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

No patent data available for this compound.