CID 81961

7459-46-3

Structural Information

Molecular Formula
C11H18O6
SMILES
CCOC(=O)CC(C(=O)OCC)C(=O)OCC
InChI
InChI=1S/C11H18O6/c1-4-15-9(12)7-8(10(13)16-5-2)11(14)17-6-3/h8H,4-7H2,1-3H3
InChIKey
TVWZLLYAJDSSCJ-UHFFFAOYSA-N
Compound name
triethyl ethane-1,1,2-tricarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

546
Patents

246.11034 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.11762 154.7
[M+Na]+ 269.09956 159.9
[M-H]- 245.10306 154.5
[M+NH4]+ 264.14416 171.9
[M+K]+ 285.07350 161.5
[M+H-H2O]+ 229.10760 149.1
[M+HCOO]- 291.10854 175.1
[M+CH3COO]- 305.12419 193.0
[M+Na-2H]- 267.08501 154.6
[M]+ 246.10979 161.8
[M]- 246.11089 161.8
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