CID 42552903

91968-71-7

Structural Information

Molecular Formula

C₁₁H₁₆O₂

SMILES

CC(C)(CO)OCC1=CC=CC=C1

InChI

InChI=1S/C11H16O2/c1-11(2,9-12)13-8-10-6-4-3-5-7-10/h3-7,12H,8-9H2,1-2H3

InChIKey

FRHJVAJQSPVSKV-UHFFFAOYSA-N

Compound name

2-methyl-2-phenylmethoxypropan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 156
Patents: 180.11504 Da
Monoisotopic Mass: 1.5
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]+	181.12232	140.4
[M+Na]+	203.10426	147.0
[M-H]-	179.10776	142.5
[M+NH4]+	198.14886	159.9
[M+K]+	219.07820	145.1
[M+H-H2O]+	163.11230	135.1
[M+HCOO]-	225.11324	161.7
[M+CH3COO]-	239.12889	179.1
[M+Na-2H]-	201.08971	147.8
[M]+	180.11449	141.6
[M]-	180.11559	141.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe