CID 29546

Hexanophenone, 4'-butoxy-2'-hydroxy-

Structural Information

Molecular Formula
C16H24O3
SMILES
CCCCCC(=O)C1=C(C=C(C=C1)OCCCC)O
InChI
InChI=1S/C16H24O3/c1-3-5-7-8-15(17)14-10-9-13(12-16(14)18)19-11-6-4-2/h9-10,12,18H,3-8,11H2,1-2H3
InChIKey
MAZDNGGGOVINRL-UHFFFAOYSA-N
Compound name
1-(4-butoxy-2-hydroxyphenyl)hexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.17255 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.17983 164.3
[M+Na]+ 287.16177 175.3
[M+NH4]+ 282.20637 170.9
[M+K]+ 303.13571 168.5
[M-H]- 263.16527 165.0
[M+Na-2H]- 285.14722 168.3
[M]+ 264.17200 165.9
[M]- 264.17310 165.9
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

No patent data available for this compound.