CID 22586

Ursol blue grey om

Structural Information

Molecular Formula

C₁₃H₁₄N₂O

SMILES

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

InChI

InChI=1S/C13H14N2O/c1-9-8-11(4-7-13(9)14)15-10-2-5-12(16)6-3-10/h2-8,15-16H,14H2,1H3

InChIKey

JGXPJGJSAMZYBO-UHFFFAOYSA-N

Compound name

4-(4-amino-3-methylanilino)phenol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 25
Patents: 214.11061 Da
Monoisotopic Mass: 2.4
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]+	215.11789	148.1
[M+Na]+	237.09983	161.6
[M+NH4]+	232.14443	156.9
[M+K]+	253.07377	154.4
[M-H]-	213.10333	153.8
[M+Na-2H]-	235.08528	157.2
[M]+	214.11006	151.6
[M]-	214.11116	151.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe