CID 41076

4-pentylcyclohexanol

Structural Information

Molecular Formula
C11H22O
SMILES
CCCCCC1CCC(CC1)O
InChI
InChI=1S/C11H22O/c1-2-3-4-5-10-6-8-11(12)9-7-10/h10-12H,2-9H2,1H3
InChIKey
VHWGPISIUNUREA-UHFFFAOYSA-N
Compound name
4-pentylcyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

271
Patents

170.16707 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.17435 142.3
[M+Na]+ 193.15629 146.2
[M-H]- 169.15979 143.3
[M+NH4]+ 188.20089 162.1
[M+K]+ 209.13023 144.2
[M+H-H2O]+ 153.16433 136.8
[M+HCOO]- 215.16527 160.5
[M+CH3COO]- 229.18092 179.0
[M+Na-2H]- 191.14174 145.2
[M]+ 170.16652 138.5
[M]- 170.16762 138.5
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