CID 101135

2-methyl-1-phenyl-2-butanol

Structural Information

Molecular Formula

C₁₁H₁₆O

SMILES

CCC(C)(CC1=CC=CC=C1)O

InChI

InChI=1S/C11H16O/c1-3-11(2,12)9-10-7-5-4-6-8-10/h4-8,12H,3,9H2,1-2H3

InChIKey

FTZBYXCNXOPJEL-UHFFFAOYSA-N

Compound name

2-methyl-1-phenylbutan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 88
Patents: 164.12012 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]+	165.12740	137.0
[M+Na]+	187.10934	143.6
[M-H]-	163.11284	139.1
[M+NH4]+	182.15394	157.2
[M+K]+	203.08328	141.3
[M+H-H2O]+	147.11738	132.0
[M+HCOO]-	209.11832	158.1
[M+CH3COO]-	223.13397	177.1
[M+Na-2H]-	185.09479	144.3
[M]+	164.11957	136.8
[M]-	164.12067	136.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe