CID 14685115

3,6-diphenylcyclohexan-1,2-diol

Structural Information

Molecular Formula
C18H20O2
SMILES
C1CC(C(C(C1C2=CC=CC=C2)O)O)C3=CC=CC=C3
InChI
InChI=1S/C18H20O2/c19-17-15(13-7-3-1-4-8-13)11-12-16(18(17)20)14-9-5-2-6-10-14/h1-10,15-20H,11-12H2
InChIKey
KIDYUEHQXIEBGK-UHFFFAOYSA-N
Compound name
3,6-diphenylcyclohexane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

268.14633 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.153606 162.7
[M+Na]+ 291.135548 167.6
[M-H]- 267.139054 169.2
[M+NH4]+ 286.180153 177.3
[M+K]+ 307.109488 162.2
[M+H-H2O]+ 251.143590 154.7
[M+HCOO]- 313.144531 180.2
[M+CH3COO]- 327.160181 173.0
[M+Na-2H]- 289.120996 165.0
[M]+ 268.14578142 156.5
[M]- 268.14687858 156.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe