CID 22476645

Cyclohexanol, 1-methyl-3-(2-methylpropyl)-

Structural Information

Molecular Formula
C11H22O
SMILES
CC(C)CC1CCCC(C1)(C)O
InChI
InChI=1S/C11H22O/c1-9(2)7-10-5-4-6-11(3,12)8-10/h9-10,12H,4-8H2,1-3H3
InChIKey
PMKDAPPYGOWKLX-UHFFFAOYSA-N
Compound name
1-methyl-3-(2-methylpropyl)cyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

244
Patents

170.16707 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.174346 141.7
[M+Na]+ 193.156288 146.4
[M-H]- 169.159794 143.3
[M+NH4]+ 188.200893 163.6
[M+K]+ 209.130228 145.1
[M+H-H2O]+ 153.164330 137.4
[M+HCOO]- 215.165271 159.0
[M+CH3COO]- 229.180921 179.4
[M+Na-2H]- 191.141736 144.6
[M]+ 170.16652142 137.6
[M]- 170.16761858 137.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe