CID 26816

Heptanophenone, 4'-ethoxy-2'-hydroxy-

Structural Information

Molecular Formula
C15H22O3
SMILES
CCCCCCC(=O)C1=C(C=C(C=C1)OCC)O
InChI
InChI=1S/C15H22O3/c1-3-5-6-7-8-14(16)13-10-9-12(18-4-2)11-15(13)17/h9-11,17H,3-8H2,1-2H3
InChIKey
NZIRBSBCMXFKGQ-UHFFFAOYSA-N
Compound name
1-(4-ethoxy-2-hydroxyphenyl)heptan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.15689 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.164166 159.6
[M+Na]+ 273.146108 165.8
[M-H]- 249.149614 161.5
[M+NH4]+ 268.190713 176.5
[M+K]+ 289.120048 163.0
[M+H-H2O]+ 233.154150 153.2
[M+HCOO]- 295.155091 180.5
[M+CH3COO]- 309.170741 195.1
[M+Na-2H]- 271.131556 161.5
[M]+ 250.15634142 163.6
[M]- 250.15743858 163.6
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.