CID 6506

Triethyl citrate

Structural Information

Molecular Formula
C12H20O7
SMILES
CCOC(=O)CC(CC(=O)OCC)(C(=O)OCC)O
InChI
InChI=1S/C12H20O7/c1-4-17-9(13)7-12(16,11(15)19-6-3)8-10(14)18-5-2/h16H,4-8H2,1-3H3
InChIKey
DOOTYTYQINUNNV-UHFFFAOYSA-N
Compound name
triethyl 2-hydroxypropane-1,2,3-tricarboxylate
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

93
References

121670
Patents

276.1209 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.12818 161.5
[M+Na]+ 299.11012 166.8
[M+NH4]+ 294.15472 164.0
[M+K]+ 315.08406 166.1
[M-H]- 275.11362 155.5
[M+Na-2H]- 297.09557 159.9
[M]+ 276.12035 159.8
[M]- 276.12145 159.8
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