CID 5317591

10-gingerdione

Structural Information

Molecular Formula
C21H32O4
SMILES
CCCCCCCCCC(=O)/C=C(/CCC1=CC(=C(C=C1)O)OC)\O
InChI
InChI=1S/C21H32O4/c1-3-4-5-6-7-8-9-10-18(22)16-19(23)13-11-17-12-14-20(24)21(15-17)25-2/h12,14-16,23-24H,3-11,13H2,1-2H3/b19-16-
InChIKey
ZDFMHONYMPZGOT-MNDPQUGUSA-N
Compound name
(Z)-3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)tetradec-3-en-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

348.23007 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.23735 189.4
[M+Na]+ 371.21929 192.4
[M-H]- 347.22279 188.7
[M+NH4]+ 366.26389 201.2
[M+K]+ 387.19323 187.9
[M+H-H2O]+ 331.22733 182.0
[M+HCOO]- 393.22827 206.1
[M+CH3COO]- 407.24392 212.0
[M+Na-2H]- 369.20474 186.4
[M]+ 348.22952 193.6
[M]- 348.23062 193.6
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

patents stripe