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

2
Patents

170.16707 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.17435 139.9
[M+Na]+ 193.15629 150.8
[M+NH4]+ 188.20089 151.7
[M+K]+ 209.13023 140.8
[M-H]- 169.15979 141.9
[M+Na-2H]- 191.14174 147.3
[M]+ 170.16652 142.3
[M]- 170.16762 142.3
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