CID 65391478

(1s)-1-(4,4-dimethylcyclohexyl)ethan-1-ol

Structural Information

Molecular Formula
C10H20O
SMILES
C[C@@H](C1CCC(CC1)(C)C)O
InChI
InChI=1S/C10H20O/c1-8(11)9-4-6-10(2,3)7-5-9/h8-9,11H,4-7H2,1-3H3/t8-/m0/s1
InChIKey
NGXBBGBKSFZOCF-QMMMGPOBSA-N
Compound name
(1S)-1-(4,4-dimethylcyclohexyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

156.15141 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.15869 137.1
[M+Na]+ 179.14063 142.2
[M-H]- 155.14413 138.9
[M+NH4]+ 174.18523 159.6
[M+K]+ 195.11457 141.2
[M+H-H2O]+ 139.14867 133.0
[M+HCOO]- 201.14961 154.7
[M+CH3COO]- 215.16526 176.4
[M+Na-2H]- 177.12608 140.6
[M]+ 156.15086 132.7
[M]- 156.15196 132.7
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

patents stripe