CID 70781

4-amino-2-isopropyl-5-methylphenol

Structural Information

Molecular Formula

C₁₀H₁₅NO

SMILES

CC1=CC(=C(C=C1N)C(C)C)O

InChI

InChI=1S/C10H15NO/c1-6(2)8-5-9(11)7(3)4-10(8)12/h4-6,12H,11H2,1-3H3

InChIKey

RGRUKJFIPJHWNL-UHFFFAOYSA-N

Compound name

4-amino-5-methyl-2-propan-2-ylphenol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 71
Patents: 165.11537 Da
Monoisotopic Mass: 2.6
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]+	166.122646	136.2
[M+Na]+	188.104588	144.5
[M-H]-	164.108094	138.9
[M+NH4]+	183.149193	156.5
[M+K]+	204.078528	142.2
[M+H-H2O]+	148.112630	131.1
[M+HCOO]-	210.113571	158.6
[M+CH3COO]-	224.129221	182.3
[M+Na-2H]-	186.090036	139.2
[M]+	165.11482142	134.8
[M]-	165.11591858	134.8

Literature stripe

literature stripe

Patent stripe

patents stripe