CID 688196

59760-01-9

Structural Information

Molecular Formula
C12H12N2O5
SMILES
C1[C@H](N(C(=O)N1)C(=O)OCC2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C12H12N2O5/c15-10(16)9-6-13-11(17)14(9)12(18)19-7-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,17)(H,15,16)/t9-/m0/s1
InChIKey
AYSUEIZKNBGWGN-VIFPVBQESA-N
Compound name
(4S)-2-oxo-3-phenylmethoxycarbonylimidazolidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

177
Patents

264.07462 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.08190 158.6
[M+Na]+ 287.06384 167.2
[M+NH4]+ 282.10844 162.7
[M+K]+ 303.03778 166.3
[M-H]- 263.06734 157.0
[M+Na-2H]- 285.04929 161.1
[M]+ 264.07407 158.6
[M]- 264.07517 158.6
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

patents stripe