CID 80436

M-(o-toluidino)phenol

Structural Information

Molecular Formula

C₁₃H₁₃NO

SMILES

CC1=CC=CC=C1NC2=CC(=CC=C2)O

InChI

InChI=1S/C13H13NO/c1-10-5-2-3-8-13(10)14-11-6-4-7-12(15)9-11/h2-9,14-15H,1H3

InChIKey

SUHWXARLXCIBFK-UHFFFAOYSA-N

Compound name

3-(2-methylanilino)phenol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 128
Patents: 199.09972 Da
Monoisotopic Mass: 3.5
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]+	200.106996	142.3
[M+Na]+	222.088938	150.0
[M-H]-	198.092444	148.2
[M+NH4]+	217.133543	160.7
[M+K]+	238.062878	145.9
[M+H-H2O]+	182.096980	135.5
[M+HCOO]-	244.097921	166.8
[M+CH3COO]-	258.113571	185.6
[M+Na-2H]-	220.074386	149.5
[M]+	199.09917142	140.7
[M]-	199.10026858	140.7

Literature stripe

literature stripe

Patent stripe

patents stripe