CID 5274976

5-pentyl-2-phenoxyphenol

Structural Information

Molecular Formula
C17H20O2
SMILES
CCCCCC1=CC(=C(C=C1)OC2=CC=CC=C2)O
InChI
InChI=1S/C17H20O2/c1-2-3-5-8-14-11-12-17(16(18)13-14)19-15-9-6-4-7-10-15/h4,6-7,9-13,18H,2-3,5,8H2,1H3
InChIKey
OJLYTHOKCYLPMA-UHFFFAOYSA-N
Compound name
5-pentyl-2-phenoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

10
Patents

256.14633 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.15361 160.2
[M+Na]+ 279.13555 166.9
[M-H]- 255.13905 165.4
[M+NH4]+ 274.18015 176.6
[M+K]+ 295.10949 162.5
[M+H-H2O]+ 239.14359 152.7
[M+HCOO]- 301.14453 182.5
[M+CH3COO]- 315.16018 194.8
[M+Na-2H]- 277.12100 164.8
[M]+ 256.14578 162.1
[M]- 256.14688 162.1
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