CID 87524

Myristyl gallate

Structural Information

Molecular Formula
C21H34O5
SMILES
CCCCCCCCCCCCCCOC(=O)C1=CC(=C(C(=C1)O)O)O
InChI
InChI=1S/C21H34O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-26-21(25)17-15-18(22)20(24)19(23)16-17/h15-16,22-24H,2-14H2,1H3
InChIKey
BQWQGCZOPQEUIQ-UHFFFAOYSA-N
Compound name
tetradecyl 3,4,5-trihydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

363
Patents

366.24063 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.24791 192.9
[M+Na]+ 389.22985 196.1
[M-H]- 365.23335 191.0
[M+NH4]+ 384.27445 203.6
[M+K]+ 405.20379 191.6
[M+H-H2O]+ 349.23789 185.4
[M+HCOO]- 411.23883 209.0
[M+CH3COO]- 425.25448 212.9
[M+Na-2H]- 387.21530 190.0
[M]+ 366.24008 198.4
[M]- 366.24118 198.4
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