CID 111813

Einecs 273-033-3

Structural Information

Molecular Formula
C15H22O9
SMILES
CCOC(=O)CC(CC(=O)OCC)(C(=O)OCC)OC(=O)C(=O)C
InChI
InChI=1S/C15H22O9/c1-5-21-11(17)8-15(14(20)23-7-3,9-12(18)22-6-2)24-13(19)10(4)16/h5-9H2,1-4H3
InChIKey
GNVCGAGVWLLEDN-UHFFFAOYSA-N
Compound name
triethyl 2-(2-oxopropanoyloxy)propane-1,2,3-tricarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.12637 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.13365 182.5
[M+Na]+ 369.11559 192.1
[M-H]- 345.11909 187.2
[M+NH4]+ 364.16019 196.1
[M+K]+ 385.08953 186.0
[M+H-H2O]+ 329.12363 167.5
[M+HCOO]- 391.12457 193.3
[M+CH3COO]- 405.14022 210.0
[M+Na-2H]- 367.10104 172.1
[M]+ 346.12582 186.8
[M]- 346.12692 186.8
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.