CID 120120

(2-hydroxy-p-tolyl)urea

Structural Information

Molecular Formula

C₈H₁₀N₂O₂

SMILES

CC1=CC(=C(C=C1)NC(=O)N)O

InChI

InChI=1S/C8H10N2O2/c1-5-2-3-6(7(11)4-5)10-8(9)12/h2-4,11H,1H3,(H3,9,10,12)

InChIKey

RDWSVHLVSMKYOC-UHFFFAOYSA-N

Compound name

(2-hydroxy-4-methylphenyl)urea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 24
Patents: 166.07423 Da
Monoisotopic Mass: 0.9
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]+	167.08151	134.1
[M+Na]+	189.06345	144.3
[M+NH4]+	184.10805	141.4
[M+K]+	205.03739	140.0
[M-H]-	165.06695	135.9
[M+Na-2H]-	187.04890	139.5
[M]+	166.07368	135.7
[M]-	166.07478	135.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe