CID 476768

6-(4-phenylphenoxy)hexan-1-ol

Structural Information

Molecular Formula
C18H22O2
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)OCCCCCCO
InChI
InChI=1S/C18H22O2/c19-14-6-1-2-7-15-20-18-12-10-17(11-13-18)16-8-4-3-5-9-16/h3-5,8-13,19H,1-2,6-7,14-15H2
InChIKey
JEEKYDUFGJQLHJ-UHFFFAOYSA-N
Compound name
6-(4-phenylphenoxy)hexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

270.162 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.16928 165.0
[M+Na]+ 293.15122 170.3
[M-H]- 269.15472 169.5
[M+NH4]+ 288.19582 180.4
[M+K]+ 309.12516 165.6
[M+H-H2O]+ 253.15926 157.0
[M+HCOO]- 315.16020 187.0
[M+CH3COO]- 329.17585 196.6
[M+Na-2H]- 291.13667 169.7
[M]+ 270.16145 166.8
[M]- 270.16255 166.8
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.