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]+ 251.16417 159.6
[M+Na]+ 273.14611 165.8
[M-H]- 249.14961 161.5
[M+NH4]+ 268.19071 176.5
[M+K]+ 289.12005 163.0
[M+H-H2O]+ 233.15415 153.2
[M+HCOO]- 295.15509 180.5
[M+CH3COO]- 309.17074 195.1
[M+Na-2H]- 271.13156 161.5
[M]+ 250.15634 163.6
[M]- 250.15744 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.