CID 78197

Dicyclohexylmethanol

Structural Information

Molecular Formula
C13H24O
SMILES
C1CCC(CC1)C(C2CCCCC2)O
InChI
InChI=1S/C13H24O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h11-14H,1-10H2
InChIKey
DEFUSPNGFCCTEU-UHFFFAOYSA-N
Compound name
dicyclohexylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

35
References

345
Patents

196.18271 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.189986 149.6
[M+Na]+ 219.171928 149.6
[M-H]- 195.175434 152.5
[M+NH4]+ 214.216533 167.2
[M+K]+ 235.145868 147.3
[M+H-H2O]+ 179.179970 142.8
[M+HCOO]- 241.180911 163.2
[M+CH3COO]- 255.196561 181.5
[M+Na-2H]- 217.157376 150.3
[M]+ 196.18216142 138.5
[M]- 196.18325858 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