CID 14440539

[10]-gingerdione

Structural Information

Molecular Formula
C21H32O4
SMILES
CCCCCCCCCC(=O)CC(=O)CCC1=CC(=C(C=C1)O)OC
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/h12,14-15,24H,3-11,13,16H2,1-2H3
InChIKey
QPSYZJDGMPQMSV-UHFFFAOYSA-N
Compound name
1-(4-hydroxy-3-methoxyphenyl)tetradecane-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

348.23007 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.23735 188.7
[M+Na]+ 371.21929 192.2
[M-H]- 347.22279 189.4
[M+NH4]+ 366.26389 201.3
[M+K]+ 387.19323 188.5
[M+H-H2O]+ 331.22733 181.1
[M+HCOO]- 393.22827 207.0
[M+CH3COO]- 407.24392 215.1
[M+Na-2H]- 369.20474 186.2
[M]+ 348.22952 195.0
[M]- 348.23062 195.0
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