CID 6504

77-89-4

Structural Information

Molecular Formula
C14H22O8
SMILES
CCOC(=O)CC(CC(=O)OCC)(C(=O)OCC)OC(=O)C
InChI
InChI=1S/C14H22O8/c1-5-19-11(16)8-14(22-10(4)15,13(18)21-7-3)9-12(17)20-6-2/h5-9H2,1-4H3
InChIKey
WEAPVABOECTMGR-UHFFFAOYSA-N
Compound name
triethyl 2-acetyloxypropane-1,2,3-tricarboxylate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

9
References

44380
Patents

318.13147 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.13875 169.4
[M+Na]+ 341.12069 173.9
[M-H]- 317.12419 169.0
[M+NH4]+ 336.16529 188.3
[M+K]+ 357.09463 175.9
[M+H-H2O]+ 301.12873 163.8
[M+HCOO]- 363.12967 190.1
[M+CH3COO]- 377.14532 204.8
[M+Na-2H]- 339.10614 169.5
[M]+ 318.13092 179.4
[M]- 318.13202 179.4
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