CID 109096

61537-49-3

Structural Information

Molecular Formula

C₁₃H₁₃NO

SMILES

CC1=CC=C(C=C1)NC2=CC(=CC=C2)O

InChI

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

InChIKey

TWYLNUMRYUFZIN-UHFFFAOYSA-N

Compound name

3-(4-methylanilino)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 57
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]+	200.10700	143.8
[M+Na]+	222.08894	158.6
[M+NH4]+	217.13354	153.3
[M+K]+	238.06288	150.6
[M-H]-	198.09244	149.4
[M+Na-2H]-	220.07439	154.1
[M]+	199.09917	147.6
[M]-	199.10027	147.6

Literature stripe

literature stripe

Patent stripe

patents stripe