CID 95668

Cyclohexyl(phenyl)methanol

Structural Information

Molecular Formula
C13H18O
SMILES
C1CCC(CC1)C(C2=CC=CC=C2)O
InChI
InChI=1S/C13H18O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1,3-4,7-8,12-14H,2,5-6,9-10H2
InChIKey
QDYKZBKCLHBUHU-UHFFFAOYSA-N
Compound name
cyclohexyl(phenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

287
Patents

190.13577 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.14305 144.9
[M+Na]+ 213.12499 157.1
[M+NH4]+ 208.16959 154.7
[M+K]+ 229.09893 149.7
[M-H]- 189.12849 149.4
[M+Na-2H]- 211.11044 152.9
[M]+ 190.13522 147.9
[M]- 190.13632 147.9
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