CID 75851

3,3,5,5-tetramethylcyclohexanol

Structural Information

Molecular Formula
C10H20O
SMILES
CC1(CC(CC(C1)(C)C)O)C
InChI
InChI=1S/C10H20O/c1-9(2)5-8(11)6-10(3,4)7-9/h8,11H,5-7H2,1-4H3
InChIKey
PIQXIIHPQBQVTP-UHFFFAOYSA-N
Compound name
3,3,5,5-tetramethylcyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

269
Patents

156.15141 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.158686 133.9
[M+Na]+ 179.140628 141.2
[M-H]- 155.144134 136.5
[M+NH4]+ 174.185233 158.8
[M+K]+ 195.114568 140.0
[M+H-H2O]+ 139.148670 130.9
[M+HCOO]- 201.149611 152.6
[M+CH3COO]- 215.165261 176.5
[M+Na-2H]- 177.126076 139.3
[M]+ 156.15086142 131.0
[M]- 156.15195858 131.0
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