CID 244005

7572-79-4

Structural Information

Molecular Formula

C₁₀H₁₄O

SMILES

CC1=CC=CC=C1C(C)(C)O

InChI

InChI=1S/C10H14O/c1-8-6-4-5-7-9(8)10(2,3)11/h4-7,11H,1-3H3

InChIKey

UZRCLVBKYONQEI-UHFFFAOYSA-N

Compound name

2-(2-methylphenyl)propan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 265
Patents: 150.10446 Da
Monoisotopic Mass: 2.0
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]+	151.11174	132.2
[M+Na]+	173.09368	145.2
[M+NH4]+	168.13828	141.3
[M+K]+	189.06762	139.1
[M-H]-	149.09718	134.1
[M+Na-2H]-	171.07913	139.5
[M]+	150.10391	134.7
[M]-	150.10501	134.7

Literature stripe

literature stripe

Patent stripe

patents stripe