CID 145270

7338-43-4

Structural Information

Molecular Formula
C11H22O
SMILES
CCCCC(C1CCCCC1)O
InChI
InChI=1S/C11H22O/c1-2-3-9-11(12)10-7-5-4-6-8-10/h10-12H,2-9H2,1H3
InChIKey
PKXSPCMDZCKLCI-UHFFFAOYSA-N
Compound name
1-cyclohexylpentan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

158
Patents

170.16707 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.174346 143.3
[M+Na]+ 193.156288 146.0
[M-H]- 169.159794 144.0
[M+NH4]+ 188.200893 162.7
[M+K]+ 209.130228 144.4
[M+H-H2O]+ 153.164330 137.7
[M+HCOO]- 215.165271 160.5
[M+CH3COO]- 229.180921 178.7
[M+Na-2H]- 191.141736 145.6
[M]+ 170.16652142 138.5
[M]- 170.16761858 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

literature stripe

Patent stripe

patents stripe