CID 131753086

Demethoxyshogaol

Structural Information

Molecular Formula
C16H22O2
SMILES
CCCCC/C=C/C(=O)CCC1=CC=C(C=C1)O
InChI
InChI=1S/C16H22O2/c1-2-3-4-5-6-7-15(17)11-8-14-9-12-16(18)13-10-14/h6-7,9-10,12-13,18H,2-5,8,11H2,1H3/b7-6+
InChIKey
SPJVWQSNXPEUKK-VOTSOKGWSA-N
Compound name
(E)-1-(4-hydroxyphenyl)dec-4-en-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.16199 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.169266 160.6
[M+Na]+ 269.151208 165.9
[M-H]- 245.154714 162.0
[M+NH4]+ 264.195813 177.4
[M+K]+ 285.125148 161.6
[M+H-H2O]+ 229.159250 154.1
[M+HCOO]- 291.160191 181.2
[M+CH3COO]- 305.175841 193.4
[M+Na-2H]- 267.136656 162.6
[M]+ 246.16144142 162.3
[M]- 246.16253858 162.3
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

No patent data available for this compound.