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
trans-(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]+ 185.189986 146.3
[M+Na]+ 207.171928 150.3
[M-H]- 183.175434 147.5
[M+NH4]+ 202.216533 165.8
[M+K]+ 223.145868 148.5
[M+H-H2O]+ 167.179970 141.4
[M+HCOO]- 229.180911 162.7
[M+CH3COO]- 243.196561 182.4
[M+Na-2H]- 205.157376 149.5
[M]+ 184.18216142 142.5
[M]- 184.18325858 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.