CID 57037605

(3,3,5,5-tetramethylcyclohexyl)methanol

Structural Information

Molecular Formula
C11H22O
SMILES
CC1(CC(CC(C1)(C)C)CO)C
InChI
InChI=1S/C11H22O/c1-10(2)5-9(7-12)6-11(3,4)8-10/h9,12H,5-8H2,1-4H3
InChIKey
OCUOBEKZVXTIEG-UHFFFAOYSA-N
Compound name
(3,3,5,5-tetramethylcyclohexyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
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 138.4
[M+Na]+ 193.156288 145.2
[M-H]- 169.159794 140.8
[M+NH4]+ 188.200893 162.7
[M+K]+ 209.130228 143.8
[M+H-H2O]+ 153.164330 135.2
[M+HCOO]- 215.165271 156.7
[M+CH3COO]- 229.180921 179.5
[M+Na-2H]- 191.141736 143.3
[M]+ 170.16652142 135.8
[M]- 170.16761858 135.8
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

patents stripe