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]+ 187.16927 143.3
[M+Na]+ 209.15121 149.2
[M-H]- 185.15471 145.2
[M+NH4]+ 204.19581 166.6
[M+K]+ 225.12515 148.1
[M+H-H2O]+ 169.15925 139.6
[M+HCOO]- 231.16019 161.8
[M+CH3COO]- 245.17584 180.3
[M+Na-2H]- 207.13666 148.8
[M]+ 186.16144 141.8
[M]- 186.16254 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.