CID 45479615

(s)-2-ureidoglycine

Structural Information

Molecular Formula

C₃H₇N₃O₃

SMILES

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

InChI

InChI=1S/C3H7N3O3/c4-1(2(7)8)6-3(5)9/h1H,4H2,(H,7,8)(H3,5,6,9)/t1-/m0/s1

InChIKey

VTFWFHCECSOPSX-SFOWXEAESA-N

Compound name

(2S)-2-amino-2-(carbamoylamino)acetic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 12
Patents: 133.04874 Da
Monoisotopic Mass: -4.5
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]+	134.056016	125.2
[M+Na]+	156.037958	130.5
[M-H]-	132.041464	123.5
[M+NH4]+	151.082563	144.4
[M+K]+	172.011898	131.0
[M+H-H2O]+	116.046000	119.6
[M+HCOO]-	178.046941	148.3
[M+CH3COO]-	192.062591	175.8
[M+Na-2H]-	154.023406	127.8
[M]+	133.04819142	119.7
[M]-	133.04928858	119.7

Literature stripe

literature stripe

Patent stripe

patents stripe