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
7
Annotation Hits

100
References

14753
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 184.0
[M+Na]+ 361.19854 188.1
[M-H]- 337.20204 182.5
[M+NH4]+ 356.24314 195.9
[M+K]+ 377.17248 184.1
[M+H-H2O]+ 321.20658 176.9
[M+HCOO]- 383.20752 200.8
[M+CH3COO]- 397.22317 207.0
[M+Na-2H]- 359.18399 182.1
[M]+ 338.20877 188.8
[M]- 338.20987 188.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.