CID 7546

3-hydroxydiphenylamine

Structural Information

Molecular Formula

C₁₂H₁₁NO

SMILES

C1=CC=C(C=C1)NC2=CC(=CC=C2)O

InChI

InChI=1S/C12H11NO/c14-12-8-4-7-11(9-12)13-10-5-2-1-3-6-10/h1-9,13-14H

InChIKey

NDACNGSDAFKTGE-UHFFFAOYSA-N

Compound name

3-anilinophenol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 8
References: 1594
Patents: 185.08406 Da
Monoisotopic Mass: 3.1
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]+	186.09134	137.6
[M+Na]+	208.07328	144.8
[M-H]-	184.07678	143.2
[M+NH4]+	203.11788	156.3
[M+K]+	224.04722	140.9
[M+H-H2O]+	168.08132	130.8
[M+HCOO]-	230.08226	162.5
[M+CH3COO]-	244.09791	181.4
[M+Na-2H]-	206.05873	146.1
[M]+	185.08351	135.3
[M]-	185.08461	135.3

Literature stripe

literature stripe

Patent stripe

patents stripe