CID 578941

72500-37-9

Structural Information

Molecular Formula

C₉H₁₀N₂O₄

SMILES

C1=CC(=CC=C1C(C(=O)O)NC(=O)N)O

InChI

InChI=1S/C9H10N2O4/c10-9(15)11-7(8(13)14)5-1-3-6(12)4-2-5/h1-4,7,12H,(H,13,14)(H3,10,11,15)

InChIKey

GSHIDXLOTQDUAV-UHFFFAOYSA-N

Compound name

2-(carbamoylamino)-2-(4-hydroxyphenyl)acetic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 32
Patents: 210.06406 Da
Monoisotopic Mass: -0.1
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]+	211.07134	144.6
[M+Na]+	233.05328	152.0
[M+NH4]+	228.09788	149.5
[M+K]+	249.02722	150.2
[M-H]-	209.05678	143.9
[M+Na-2H]-	231.03873	147.4
[M]+	210.06351	144.7
[M]-	210.06461	144.7

Literature stripe

literature stripe

Patent stripe

patents stripe