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 138.4
[M+Na]+ 193.15629 145.2
[M-H]- 169.15979 140.8
[M+NH4]+ 188.20089 162.7
[M+K]+ 209.13023 143.8
[M+H-H2O]+ 153.16433 135.2
[M+HCOO]- 215.16527 156.7
[M+CH3COO]- 229.18092 179.5
[M+Na-2H]- 191.14174 143.3
[M]+ 170.16652 135.8
[M]- 170.16762 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