CID 137834

2-tert-butyl-5-methylcyclohexanol

Structural Information

Molecular Formula
C11H22O
SMILES
CC1CCC(C(C1)O)C(C)(C)C
InChI
InChI=1S/C11H22O/c1-8-5-6-9(10(12)7-8)11(2,3)4/h8-10,12H,5-7H2,1-4H3
InChIKey
OLSGPMSPGKZAEI-UHFFFAOYSA-N
Compound name
2-tert-butyl-5-methylcyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

100
Patents

170.16707 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.174346 141.0
[M+Na]+ 193.156288 146.5
[M-H]- 169.159794 142.9
[M+NH4]+ 188.200893 161.5
[M+K]+ 209.130228 145.0
[M+H-H2O]+ 153.164330 136.7
[M+HCOO]- 215.165271 157.8
[M+CH3COO]- 229.180921 179.8
[M+Na-2H]- 191.141736 144.1
[M]+ 170.16652142 137.2
[M]- 170.16761858 137.2
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