CID 7391

4-tert-butylcyclohexanol

Structural Information

Molecular Formula
C10H20O
SMILES
CC(C)(C)C1CCC(CC1)O
InChI
InChI=1S/C10H20O/c1-10(2,3)8-4-6-9(11)7-5-8/h8-9,11H,4-7H2,1-3H3
InChIKey
CCOQPGVQAWPUPE-UHFFFAOYSA-N
Compound name
4-tert-butylcyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

14
References

7680
Patents

156.15141 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.15869 137.3
[M+Na]+ 179.14063 142.3
[M-H]- 155.14413 139.0
[M+NH4]+ 174.18523 158.0
[M+K]+ 195.11457 140.9
[M+H-H2O]+ 139.14867 132.9
[M+HCOO]- 201.14961 154.4
[M+CH3COO]- 215.16526 175.6
[M+Na-2H]- 177.12608 141.6
[M]+ 156.15086 132.7
[M]- 156.15196 132.7
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