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]+ 221.092076 147.9
[M+Na]+ 243.074018 154.7
[M-H]- 219.077524 149.3
[M+NH4]+ 238.118623 163.6
[M+K]+ 259.047958 151.1
[M+H-H2O]+ 203.082060 140.4
[M+HCOO]- 265.083001 165.6
[M+CH3COO]- 279.098651 181.6
[M+Na-2H]- 241.059466 149.5
[M]+ 220.08425142 144.2
[M]- 220.08534858 144.2
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.