CID 83367

13351-61-6

Structural Information

Molecular Formula

C₁₁H₁₆O

SMILES

CC(C)(CC1=CC=CC=C1)CO

InChI

InChI=1S/C11H16O/c1-11(2,9-12)8-10-6-4-3-5-7-10/h3-7,12H,8-9H2,1-2H3

InChIKey

VNGAHMPMLRTSLF-UHFFFAOYSA-N

Compound name

2,2-dimethyl-3-phenylpropan-1-ol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 2
References: 2295
Patents: 164.12012 Da
Monoisotopic Mass: 2.7
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]+	165.127396	137.0
[M+Na]+	187.109338	143.6
[M-H]-	163.112844	139.1
[M+NH4]+	182.153943	157.2
[M+K]+	203.083278	141.3
[M+H-H2O]+	147.117380	132.0
[M+HCOO]-	209.118321	158.1
[M+CH3COO]-	223.133971	177.1
[M+Na-2H]-	185.094786	144.3
[M]+	164.11957142	136.8
[M]-	164.12066858	136.8

Literature stripe

literature stripe

Patent stripe

patents stripe