CID 165490010

2138033-83-5

Structural Information

Molecular Formula
C10H20O2
SMILES
CC1CC(CC(C1)(CO)OC)C
InChI
InChI=1S/C10H20O2/c1-8-4-9(2)6-10(5-8,7-11)12-3/h8-9,11H,4-7H2,1-3H3
InChIKey
SPPSGPBQWBQRSP-UHFFFAOYSA-N
Compound name
(1-methoxy-3,5-dimethylcyclohexyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.14633 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.15361 139.1
[M+Na]+ 195.13555 145.3
[M-H]- 171.13905 141.2
[M+NH4]+ 190.18015 161.2
[M+K]+ 211.10949 144.3
[M+H-H2O]+ 155.14359 134.9
[M+HCOO]- 217.14453 157.9
[M+CH3COO]- 231.16018 178.7
[M+Na-2H]- 193.12100 143.2
[M]+ 172.14578 137.2
[M]- 172.14688 137.2
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.