CID 439269

(s)-ureidoglycolate

Structural Information

Molecular Formula

C₃H₆N₂O₄

SMILES

[C@H](C(=O)O)(NC(=O)N)O

InChI

InChI=1S/C3H6N2O4/c4-3(9)5-1(6)2(7)8/h1,6H,(H,7,8)(H3,4,5,9)/t1-/m0/s1

InChIKey

NWZYYCVIOKVTII-SFOWXEAESA-N

Compound name

(2S)-2-(carbamoylamino)-2-hydroxyacetic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 4
References: 72
Patents: 134.03276 Da
Monoisotopic Mass: -2.0
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]+	135.040036	124.4
[M+Na]+	157.021978	130.0
[M-H]-	133.025484	121.8
[M+NH4]+	152.066583	143.4
[M+K]+	172.995918	130.5
[M+H-H2O]+	117.030020	119.3
[M+HCOO]-	179.030961	145.8
[M+CH3COO]-	193.046611	170.8
[M+Na-2H]-	155.007426	127.3
[M]+	134.03221142	120.2
[M]-	134.03330858	120.2

Literature stripe

literature stripe

Patent stripe

patents stripe