CID 130591113

(1-ethoxy-4,4-dimethylcyclohexyl)methanol

Structural Information

Molecular Formula
C11H22O2
SMILES
CCOC1(CCC(CC1)(C)C)CO
InChI
InChI=1S/C11H22O2/c1-4-13-11(9-12)7-5-10(2,3)6-8-11/h12H,4-9H2,1-3H3
InChIKey
PKWPDILRRPECJH-UHFFFAOYSA-N
Compound name
(1-ethoxy-4,4-dimethylcyclohexyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.16199 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.169266 143.3
[M+Na]+ 209.151208 149.2
[M-H]- 185.154714 145.2
[M+NH4]+ 204.195813 166.6
[M+K]+ 225.125148 148.1
[M+H-H2O]+ 169.159250 139.6
[M+HCOO]- 231.160191 161.8
[M+CH3COO]- 245.175841 180.3
[M+Na-2H]- 207.136656 148.8
[M]+ 186.16144142 141.8
[M]- 186.16253858 141.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.