CID 4114014

14674-88-5

Structural Information

Molecular Formula

C₁₄H₁₅NO

SMILES

CC1=CC=C(C=C1)NCC2=CC=CC=C2O

InChI

InChI=1S/C14H15NO/c1-11-6-8-13(9-7-11)15-10-12-4-2-3-5-14(12)16/h2-9,15-16H,10H2,1H3

InChIKey

WFHKXPNAEQCZDW-UHFFFAOYSA-N

Compound name

2-[(4-methylanilino)methyl]phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 21
Patents: 213.11537 Da
Monoisotopic Mass: 3.4
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]+	214.122646	146.9
[M+Na]+	236.104588	154.1
[M-H]-	212.108094	152.6
[M+NH4]+	231.149193	164.7
[M+K]+	252.078528	149.8
[M+H-H2O]+	196.112630	139.9
[M+HCOO]-	258.113571	171.1
[M+CH3COO]-	272.129221	188.6
[M+Na-2H]-	234.090036	153.5
[M]+	213.11482142	145.7
[M]-	213.11591858	145.7

Literature stripe

literature stripe

Patent stripe

patents stripe