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

517
Patents

332.23514 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.24242 185.8
[M+Na]+ 355.22436 189.7
[M-H]- 331.22786 186.5
[M+NH4]+ 350.26896 199.3
[M+K]+ 371.19830 184.9
[M+H-H2O]+ 315.23240 178.3
[M+HCOO]- 377.23334 204.9
[M+CH3COO]- 391.24899 211.6
[M+Na-2H]- 353.20981 184.5
[M]+ 332.23459 191.2
[M]- 332.23569 191.2
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

patents stripe