CID 108424

5-(2,6,6-trimethylcyclohexyl)pentan-3-ol

Structural Information

Molecular Formula
C14H28O
SMILES
CCC(CCC1C(CCCC1(C)C)C)O
InChI
InChI=1S/C14H28O/c1-5-12(15)8-9-13-11(2)7-6-10-14(13,3)4/h11-13,15H,5-10H2,1-4H3
InChIKey
KFDLIAUEUFWVDE-UHFFFAOYSA-N
Compound name
1-(2,2,6-trimethylcyclohexyl)pentan-3-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1329
Patents

212.21402 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.221296 154.0
[M+Na]+ 235.203238 158.4
[M-H]- 211.206744 155.4
[M+NH4]+ 230.247843 174.5
[M+K]+ 251.177178 156.3
[M+H-H2O]+ 195.211280 149.5
[M+HCOO]- 257.212221 170.3
[M+CH3COO]- 271.227871 189.6
[M+Na-2H]- 233.188686 154.7
[M]+ 212.21347142 151.4
[M]- 212.21456858 151.4
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