CID 70781

6-aminothymol hydrochloride

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

2
Annotation Hits: 0
References: 54
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]+	166.12265	136.2
[M+Na]+	188.10459	148.2
[M+NH4]+	183.14919	144.6
[M+K]+	204.07853	142.7
[M-H]-	164.10809	138.6
[M+Na-2H]-	186.09004	141.8
[M]+	165.11482	138.5
[M]-	165.11592	138.5

Literature stripe

literature stripe

Patent stripe

patents stripe