CID 59412190

562840-54-4

Structural Information

Molecular Formula

C₁₁H₁₆O₂

SMILES

CC(C)C1=CC(=C(C=C1)OC)CO

InChI

InChI=1S/C11H16O2/c1-8(2)9-4-5-11(13-3)10(6-9)7-12/h4-6,8,12H,7H2,1-3H3

InChIKey

ARKKBTYWUFSGIW-UHFFFAOYSA-N

Compound name

(2-methoxy-5-propan-2-ylphenyl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 180.11504 Da
Monoisotopic Mass: 2.1
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	139.2
[M+Na]+	203.10426	146.9
[M-H]-	179.10776	141.9
[M+NH4]+	198.14886	159.1
[M+K]+	219.07820	145.3
[M+H-H2O]+	163.11230	133.9
[M+HCOO]-	225.11324	161.1
[M+CH3COO]-	239.12889	181.9
[M+Na-2H]-	201.08971	143.3
[M]+	180.11449	141.0
[M]-	180.11559	141.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe