CID 42552903

2-benzyloxy-2-methylpropan-1-ol

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: 154
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	140.3
[M+Na]+	203.10426	152.1
[M+NH4]+	198.14886	148.6
[M+K]+	219.07820	146.1
[M-H]-	179.10776	141.5
[M+Na-2H]-	201.08971	147.0
[M]+	180.11449	142.4
[M]-	180.11559	142.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe