CID 103942613

1224582-24-4

Structural Information

Molecular Formula

C₁₀H₂₀O₂

SMILES

CC(C)OC1CCC(CC1)CO

InChI

InChI=1S/C10H20O2/c1-8(2)12-10-5-3-9(7-11)4-6-10/h8-11H,3-7H2,1-2H3

InChIKey

HUYCSYOFRBVDGT-UHFFFAOYSA-N

Compound name

(4-propan-2-yloxycyclohexyl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 172.14633 Da
Monoisotopic Mass: 1.7
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]+	173.15361	141.1
[M+Na]+	195.13555	145.2
[M-H]-	171.13905	142.4
[M+NH4]+	190.18015	160.7
[M+K]+	211.10949	144.3
[M+H-H2O]+	155.14359	135.7
[M+HCOO]-	217.14453	158.9
[M+CH3COO]-	231.16018	178.8
[M+Na-2H]-	193.12100	143.3
[M]+	172.14578	137.8
[M]-	172.14688	137.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe