CID 15319

1-phenylcyclohexanol

Structural Information

Molecular Formula
C12H16O
SMILES
C1CCC(CC1)(C2=CC=CC=C2)O
InChI
InChI=1S/C12H16O/c13-12(9-5-2-6-10-12)11-7-3-1-4-8-11/h1,3-4,7-8,13H,2,5-6,9-10H2
InChIKey
DTTDXHDYTWQDCS-UHFFFAOYSA-N
Compound name
1-phenylcyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3799
Patents

176.12012 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.12740 140.0
[M+Na]+ 199.10934 145.0
[M-H]- 175.11284 144.7
[M+NH4]+ 194.15394 160.9
[M+K]+ 215.08328 142.0
[M+H-H2O]+ 159.11738 133.9
[M+HCOO]- 221.11832 159.5
[M+CH3COO]- 235.13397 176.0
[M+Na-2H]- 197.09479 146.6
[M]+ 176.11957 133.9
[M]- 176.12067 133.9
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