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
2
Annotation Hits

0
References

1271
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 154.3
[M+Na]+ 235.20324 164.1
[M+NH4]+ 230.24784 164.0
[M+K]+ 251.17718 155.7
[M-H]- 211.20674 155.9
[M+Na-2H]- 233.18869 158.8
[M]+ 212.21347 156.2
[M]- 212.21457 156.2
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