CID 6442612

10-shogaol

Structural Information

Molecular Formula

C₂₁H₃₂O₃

SMILES

CCCCCCCCC/C=C/C(=O)CCC1=CC(=C(C=C1)O)OC

InChI

InChI=1S/C21H32O3/c1-3-4-5-6-7-8-9-10-11-12-19(22)15-13-18-14-16-20(23)21(17-18)24-2/h11-12,14,16-17,23H,3-10,13,15H2,1-2H3/b12-11+

InChIKey

FADFGCOCHHNRHF-VAWYXSNFSA-N

Compound name

(E)-1-(4-hydroxy-3-methoxyphenyl)tetradec-4-en-3-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 7
References: 516
Patents: 332.23514 Da
Monoisotopic Mass: 5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	333.24242	185.9
[M+Na]+	355.22436	195.9
[M+NH4]+	350.26896	191.3
[M+K]+	371.19830	187.9
[M-H]-	331.22786	186.1
[M+Na-2H]-	353.20981	188.5
[M]+	332.23459	187.1
[M]-	332.23569	187.1

Literature stripe

literature stripe

Patent stripe

patents stripe