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]+ 173.153606 138.9
[M+Na]+ 195.135548 145.1
[M-H]- 171.139054 141.0
[M+NH4]+ 190.180153 162.7
[M+K]+ 211.109488 144.4
[M+H-H2O]+ 155.143590 135.3
[M+HCOO]- 217.144531 157.7
[M+CH3COO]- 231.160181 177.3
[M+Na-2H]- 193.120996 144.9
[M]+ 172.14578142 137.0
[M]- 172.14687858 137.0
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.