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: 351
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]+	151.111736	131.4
[M+Na]+	173.093678	139.5
[M-H]-	149.097184	134.2
[M+NH4]+	168.138283	152.6
[M+K]+	189.067618	137.5
[M+H-H2O]+	133.101720	127.0
[M+HCOO]-	195.102661	152.9
[M+CH3COO]-	209.118311	175.2
[M+Na-2H]-	171.079126	138.7
[M]+	150.10391142	131.3
[M]-	150.10500858	131.3

Literature stripe

literature stripe

Patent stripe

patents stripe