CID 270810

2-aminobenzhydrol

Structural Information

Molecular Formula

C₁₃H₁₃NO

SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2N)O

InChI

InChI=1S/C13H13NO/c14-12-9-5-4-8-11(12)13(15)10-6-2-1-3-7-10/h1-9,13,15H,14H2

InChIKey

NAWYZLGDGZTAPN-UHFFFAOYSA-N

Compound name

(2-aminophenyl)-phenylmethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 140
Patents: 199.09972 Da
Monoisotopic Mass: 2.6
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]+	200.10700	143.4
[M+Na]+	222.08894	149.9
[M-H]-	198.09244	148.4
[M+NH4]+	217.13354	161.1
[M+K]+	238.06288	145.9
[M+H-H2O]+	182.09698	136.6
[M+HCOO]-	244.09792	166.3
[M+CH3COO]-	258.11357	184.7
[M+Na-2H]-	220.07439	149.0
[M]+	199.09917	139.8
[M]-	199.10027	139.8

Literature stripe

literature stripe

Patent stripe

patents stripe