CID 165590054

En300-1637775

Structural Information

Molecular Formula
C12H24O
SMILES
CCC(C)(CC)[C@@H]1CCCC[C@H]1O
InChI
InChI=1S/C12H24O/c1-4-12(3,5-2)10-8-6-7-9-11(10)13/h10-11,13H,4-9H2,1-3H3/t10-,11-/m1/s1
InChIKey
LGXFFPSKPIQDJO-GHMZBOCLSA-N
Compound name
(1R,2S)-2-(3-methylpentan-3-yl)cyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.18271 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.18999 146.3
[M+Na]+ 207.17193 150.3
[M-H]- 183.17543 147.5
[M+NH4]+ 202.21653 165.8
[M+K]+ 223.14587 148.5
[M+H-H2O]+ 167.17997 141.4
[M+HCOO]- 229.18091 162.7
[M+CH3COO]- 243.19656 182.4
[M+Na-2H]- 205.15738 149.5
[M]+ 184.18216 142.5
[M]- 184.18326 142.5
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.