CID 57316979

(1-pentylcyclohexyl)methanol

Structural Information

Molecular Formula
C12H24O
SMILES
CCCCCC1(CCCCC1)CO
InChI
InChI=1S/C12H24O/c1-2-3-5-8-12(11-13)9-6-4-7-10-12/h13H,2-11H2,1H3
InChIKey
ABCHJPQOHVSJSO-UHFFFAOYSA-N
Compound name
(1-pentylcyclohexyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

184.18271 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.189986 147.1
[M+Na]+ 207.171928 150.5
[M-H]- 183.175434 147.9
[M+NH4]+ 202.216533 168.0
[M+K]+ 223.145868 148.4
[M+H-H2O]+ 167.179970 142.0
[M+HCOO]- 229.180911 165.0
[M+CH3COO]- 243.196561 180.5
[M+Na-2H]- 205.157376 151.2
[M]+ 184.18216142 143.6
[M]- 184.18325858 143.6
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