CID 114234

63767-87-3

Structural Information

Molecular Formula
C12H24O
SMILES
CC(C1CCC(CC1)C(C)(C)C)O
InChI
InChI=1S/C12H24O/c1-9(13)10-5-7-11(8-6-10)12(2,3)4/h9-11,13H,5-8H2,1-4H3
InChIKey
FNBYRKVLUFZUKN-UHFFFAOYSA-N
Compound name
1-(4-tert-butylcyclohexyl)ethanol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

13
Patents

184.18271 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.189986 146.1
[M+Na]+ 207.171928 150.0
[M-H]- 183.175434 147.5
[M+NH4]+ 202.216533 165.6
[M+K]+ 223.145868 148.6
[M+H-H2O]+ 167.179970 141.5
[M+HCOO]- 229.180911 161.5
[M+CH3COO]- 243.196561 182.6
[M+Na-2H]- 205.157376 148.1
[M]+ 184.18216142 141.6
[M]- 184.18325858 141.6
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