CID 142288

1,3,3,5,5-pentamethylcyclohexanol

Structural Information

Molecular Formula
C11H22O
SMILES
CC1(CC(CC(C1)(C)O)(C)C)C
InChI
InChI=1S/C11H22O/c1-9(2)6-10(3,4)8-11(5,12)7-9/h12H,6-8H2,1-5H3
InChIKey
BMRINMQQUFUCHR-UHFFFAOYSA-N
Compound name
1,3,3,5,5-pentamethylcyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

94
Patents

170.16707 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.174346 135.7
[M+Na]+ 193.156288 143.5
[M-H]- 169.159794 138.5
[M+NH4]+ 188.200893 162.0
[M+K]+ 209.130228 142.4
[M+H-H2O]+ 153.164330 133.5
[M+HCOO]- 215.165271 154.0
[M+CH3COO]- 229.180921 179.5
[M+Na-2H]- 191.141736 142.0
[M]+ 170.16652142 133.6
[M]- 170.16761858 133.6
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