CID 130591114

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

Structural Information

Molecular Formula
C10H20O2
SMILES
CC1(CCC(CC1)(CO)OC)C
InChI
InChI=1S/C10H20O2/c1-9(2)4-6-10(8-11,12-3)7-5-9/h11H,4-8H2,1-3H3
InChIKey
RMSUPPPPALQTHW-UHFFFAOYSA-N
Compound name
(1-methoxy-4,4-dimethylcyclohexyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.14633 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.15361 139.5
[M+Na]+ 195.13555 149.7
[M+NH4]+ 190.18015 150.9
[M+K]+ 211.10949 140.3
[M-H]- 171.13905 141.0
[M+Na-2H]- 193.12100 146.8
[M]+ 172.14578 141.6
[M]- 172.14688 141.6
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.