CID 106731

Cyclohexaneethanol, beta-methyl-4-(1-methylethyl)-

Structural Information

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

2D Structure

compound 2d structure
3
Annotation Hits

0
References

12
Patents

184.18271 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.18999 147.2
[M+Na]+ 207.17193 150.2
[M-H]- 183.17543 148.2
[M+NH4]+ 202.21653 166.4
[M+K]+ 223.14587 148.9
[M+H-H2O]+ 167.17997 141.8
[M+HCOO]- 229.18091 163.1
[M+CH3COO]- 243.19656 183.8
[M+Na-2H]- 205.15738 147.1
[M]+ 184.18216 142.5
[M]- 184.18326 142.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe