CID 440092

L-5-carboxymethylhydantoin

Structural Information

Molecular Formula

C₅H₆N₂O₄

SMILES

C([C@H]1C(=O)NC(=O)N1)C(=O)O

InChI

InChI=1S/C5H6N2O4/c8-3(9)1-2-4(10)7-5(11)6-2/h2H,1H2,(H,8,9)(H2,6,7,10,11)/t2-/m0/s1

InChIKey

DQQLZADYSWBCOX-REOHCLBHSA-N

Compound name

2-[(4S)-2,5-dioxoimidazolidin-4-yl]acetic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 735
Patents: 158.03276 Da
Monoisotopic Mass: -1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	159.040036	130.5
[M+Na]+	181.021978	138.2
[M-H]-	157.025484	127.5
[M+NH4]+	176.066583	148.1
[M+K]+	196.995918	135.8
[M+H-H2O]+	141.030020	124.7
[M+HCOO]-	203.030961	147.3
[M+CH3COO]-	217.046611	166.8
[M+Na-2H]-	179.007426	132.3
[M]+	158.03221142	125.8
[M]-	158.03330858	125.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe