CID 59236849

(4,4-dimethoxycyclohexyl)methanol

Structural Information

Molecular Formula

C₉H₁₈O₃

SMILES

COC1(CCC(CC1)CO)OC

InChI

InChI=1S/C9H18O3/c1-11-9(12-2)5-3-8(7-10)4-6-9/h8,10H,3-7H2,1-2H3

InChIKey

PXFYBMNWJONODH-UHFFFAOYSA-N

Compound name

(4,4-dimethoxycyclohexyl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 174.1256 Da
Monoisotopic Mass: 0.7
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]+	175.13288	138.8
[M+Na]+	197.11482	148.5
[M+NH4]+	192.15942	148.2
[M+K]+	213.08876	141.4
[M-H]-	173.11832	139.6
[M+Na-2H]-	195.10027	144.2
[M]+	174.12505	140.3
[M]-	174.12615	140.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe