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

1283
Patents

212.21402 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.22130 154.0
[M+Na]+ 235.20324 158.4
[M-H]- 211.20674 155.4
[M+NH4]+ 230.24784 174.5
[M+K]+ 251.17718 156.3
[M+H-H2O]+ 195.21128 149.5
[M+HCOO]- 257.21222 170.3
[M+CH3COO]- 271.22787 189.6
[M+Na-2H]- 233.18869 154.7
[M]+ 212.21347 151.4
[M]- 212.21457 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