CID 82759

(4-tert-butylcyclohexyl)methanol

Structural Information

Molecular Formula
C11H22O
SMILES
CC(C)(C)C1CCC(CC1)CO
InChI
InChI=1S/C11H22O/c1-11(2,3)10-6-4-9(8-12)5-7-10/h9-10,12H,4-8H2,1-3H3
InChIKey
GGWBQKOXLMPNMS-UHFFFAOYSA-N
Compound name
(4-tert-butylcyclohexyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

72
Patents

170.16707 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.17435 141.4
[M+Na]+ 193.15629 151.4
[M+NH4]+ 188.20089 150.1
[M+K]+ 209.13023 145.6
[M-H]- 169.15979 142.7
[M+Na-2H]- 191.14174 145.6
[M]+ 170.16652 143.1
[M]- 170.16762 143.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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