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

2
Annotation Hits: 2
References: 2236
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]+	165.12740	137.3
[M+Na]+	187.10934	149.6
[M+NH4]+	182.15394	146.1
[M+K]+	203.08328	143.1
[M-H]-	163.11284	139.0
[M+Na-2H]-	185.09479	144.5
[M]+	164.11957	139.6
[M]-	164.12067	139.6

Literature stripe

literature stripe

Patent stripe

patents stripe