CID 198517

(1-phenylcyclohexyl)methanol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

73
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 144.5
[M+Na]+ 213.12499 149.0
[M-H]- 189.12849 149.0
[M+NH4]+ 208.16959 164.8
[M+K]+ 229.09893 145.9
[M+H-H2O]+ 173.13303 138.2
[M+HCOO]- 235.13397 163.7
[M+CH3COO]- 249.14962 179.0
[M+Na-2H]- 211.11044 150.6
[M]+ 190.13522 138.8
[M]- 190.13632 138.8
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