CID 12796

701-82-6

Structural Information

Molecular Formula

C₇H₈N₂O₂

SMILES

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

InChI

InChI=1S/C7H8N2O2/c8-7(11)9-5-2-1-3-6(10)4-5/h1-4,10H,(H3,8,9,11)

InChIKey

IPRCBIWIPMJXIK-UHFFFAOYSA-N

Compound name

(3-hydroxyphenyl)urea

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 655
Patents: 152.05858 Da
Monoisotopic Mass: 0.2
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]+	153.06586	129.0
[M+Na]+	175.04780	136.1
[M-H]-	151.05130	131.3
[M+NH4]+	170.09240	148.6
[M+K]+	191.02174	134.2
[M+H-H2O]+	135.05584	123.2
[M+HCOO]-	197.05678	153.8
[M+CH3COO]-	211.07243	176.4
[M+Na-2H]-	173.03325	135.3
[M]+	152.05803	125.6
[M]-	152.05913	125.6

Literature stripe

literature stripe

Patent stripe

patents stripe