CID 139594914

Ns00008700

Structural Information

Molecular Formula
C18H20O
SMILES
CC(C=CC(CO)C1=CC=CC=C1)C2=CC=CC=C2
InChI
InChI=1S/C18H20O/c1-15(16-8-4-2-5-9-16)12-13-18(14-19)17-10-6-3-7-11-17/h2-13,15,18-19H,14H2,1H3
InChIKey
FKMWAHGETPPVAR-UHFFFAOYSA-N
Compound name
2,5-diphenylhex-3-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.15141 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.158686 161.6
[M+Na]+ 275.140628 165.9
[M-H]- 251.144134 166.0
[M+NH4]+ 270.185233 177.4
[M+K]+ 291.114568 161.0
[M+H-H2O]+ 235.148670 154.1
[M+HCOO]- 297.149611 181.6
[M+CH3COO]- 311.165261 193.7
[M+Na-2H]- 273.126076 164.6
[M]+ 252.15086142 159.6
[M]- 252.15195858 159.6
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

No patent data available for this compound.