CID 53407688

180163-21-7

Structural Information

Molecular Formula

C₁₄H₁₅NO

SMILES

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

InChI

InChI=1S/C14H15NO/c1-10-5-3-6-11(2)14(10)15-12-7-4-8-13(16)9-12/h3-9,15-16H,1-2H3

InChIKey

ZQHONSDEIKIIGH-UHFFFAOYSA-N

Compound name

3-(2,6-dimethylanilino)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 213.11537 Da
Monoisotopic Mass: 3.8
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]+	214.122646	146.9
[M+Na]+	236.104588	155.1
[M-H]-	212.108094	153.0
[M+NH4]+	231.149193	165.0
[M+K]+	252.078528	150.8
[M+H-H2O]+	196.112630	140.1
[M+HCOO]-	258.113571	171.1
[M+CH3COO]-	272.129221	189.8
[M+Na-2H]-	234.090036	152.8
[M]+	213.11482142	146.0
[M]-	213.11591858	146.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe