CID 14425

Dodecyl gallate

Structural Information

Molecular Formula
C19H30O5
SMILES
CCCCCCCCCCCCOC(=O)C1=CC(=C(C(=C1)O)O)O
InChI
InChI=1S/C19H30O5/c1-2-3-4-5-6-7-8-9-10-11-12-24-19(23)15-13-16(20)18(22)17(21)14-15/h13-14,20-22H,2-12H2,1H3
InChIKey
RPWFJAMTCNSJKK-UHFFFAOYSA-N
Compound name
dodecyl 3,4,5-trihydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

100
References

13871
Patents

338.20932 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.21660 184.3
[M+Na]+ 361.19854 193.0
[M+NH4]+ 356.24314 188.4
[M+K]+ 377.17248 187.4
[M-H]- 337.20204 182.8
[M+Na-2H]- 359.18399 185.1
[M]+ 338.20877 184.7
[M]- 338.20987 184.7
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