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

46
Patents

270.162 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.169276 165.0
[M+Na]+ 293.151218 170.3
[M-H]- 269.154724 169.5
[M+NH4]+ 288.195823 180.4
[M+K]+ 309.125158 165.6
[M+H-H2O]+ 253.159260 157.0
[M+HCOO]- 315.160201 187.0
[M+CH3COO]- 329.175851 196.6
[M+Na-2H]- 291.136666 169.7
[M]+ 270.16145142 166.8
[M]- 270.16254858 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

patents stripe