CID 7637

4-(benzylamino)phenol

Structural Information

Molecular Formula

C₁₃H₁₃NO

SMILES

C1=CC=C(C=C1)CNC2=CC=C(C=C2)O

InChI

InChI=1S/C13H13NO/c15-13-8-6-12(7-9-13)14-10-11-4-2-1-3-5-11/h1-9,14-15H,10H2

InChIKey

SRYYOKKLTBRLHT-UHFFFAOYSA-N

Compound name

4-(benzylamino)phenol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 1476
Patents: 199.09972 Da
Monoisotopic Mass: 2.8
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	144.2
[M+Na]+	222.08894	158.5
[M+NH4]+	217.13354	153.6
[M+K]+	238.06288	150.3
[M-H]-	198.09244	149.7
[M+Na-2H]-	220.07439	154.6
[M]+	199.09917	147.8
[M]-	199.10027	147.8

Literature stripe

literature stripe

Patent stripe

patents stripe