CID 12266715

Rac-(1r,2s)-2-(butan-2-yl)cyclohexan-1-ol

Structural Information

Molecular Formula
C10H20O
SMILES
CCC(C)[C@@H]1CCCC[C@H]1O
InChI
InChI=1S/C10H20O/c1-3-8(2)9-6-4-5-7-10(9)11/h8-11H,3-7H2,1-2H3/t8?,9-,10+/m0/s1
InChIKey
HSTMKGFYRGMMOF-CBMCFHRWSA-N
Compound name
(1R,2S)-2-butan-2-ylcyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

156.15141 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.15869 138.0
[M+Na]+ 179.14063 142.1
[M-H]- 155.14413 139.3
[M+NH4]+ 174.18523 158.3
[M+K]+ 195.11457 140.8
[M+H-H2O]+ 139.14867 132.9
[M+HCOO]- 201.14961 155.5
[M+CH3COO]- 215.16526 176.8
[M+Na-2H]- 177.12608 140.2
[M]+ 156.15086 133.2
[M]- 156.15196 133.2
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.