CID 102912

2-isopropoxycyclohexan-1-ol

Structural Information

Molecular Formula

C₉H₁₈O₂

SMILES

CC(C)OC1CCCCC1O

InChI

InChI=1S/C9H18O2/c1-7(2)11-9-6-4-3-5-8(9)10/h7-10H,3-6H2,1-2H3

InChIKey

DEKLMTVOQOWFOL-UHFFFAOYSA-N

Compound name

2-propan-2-yloxycyclohexan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 158.13068 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]+	159.13796	136.5
[M+Na]+	181.11990	141.0
[M-H]-	157.12340	138.0
[M+NH4]+	176.16450	156.7
[M+K]+	197.09384	140.4
[M+H-H2O]+	141.12794	131.3
[M+HCOO]-	203.12888	154.6
[M+CH3COO]-	217.14453	175.8
[M+Na-2H]-	179.10535	139.2
[M]+	158.13013	132.8
[M]-	158.13123	132.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe