CID 87956

Decyl gallate

Structural Information

Molecular Formula
C17H26O5
SMILES
CCCCCCCCCCOC(=O)C1=CC(=C(C(=C1)O)O)O
InChI
InChI=1S/C17H26O5/c1-2-3-4-5-6-7-8-9-10-22-17(21)13-11-14(18)16(20)15(19)12-13/h11-12,18-20H,2-10H2,1H3
InChIKey
AOTRKUOCGUXQCY-UHFFFAOYSA-N
Compound name
decyl 3,4,5-trihydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

298
Patents

310.178 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.18528 175.0
[M+Na]+ 333.16722 180.1
[M-H]- 309.17072 173.9
[M+NH4]+ 328.21182 188.1
[M+K]+ 349.14116 176.4
[M+H-H2O]+ 293.17526 168.3
[M+HCOO]- 355.17620 192.5
[M+CH3COO]- 369.19185 201.0
[M+Na-2H]- 331.15267 174.2
[M]+ 310.17745 179.1
[M]- 310.17855 179.1
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