CID 80471

Triethyl methanetricarboxylate

Structural Information

Molecular Formula
C10H16O6
SMILES
CCOC(=O)C(C(=O)OCC)C(=O)OCC
InChI
InChI=1S/C10H16O6/c1-4-14-8(11)7(9(12)15-5-2)10(13)16-6-3/h7H,4-6H2,1-3H3
InChIKey
AGZPNUZBDCYTBB-UHFFFAOYSA-N
Compound name
triethyl methanetricarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

931
Patents

232.09468 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.10196 150.0
[M+Na]+ 255.08390 155.6
[M-H]- 231.08740 149.9
[M+NH4]+ 250.12850 167.7
[M+K]+ 271.05784 157.4
[M+H-H2O]+ 215.09194 144.5
[M+HCOO]- 277.09288 170.7
[M+CH3COO]- 291.10853 190.0
[M+Na-2H]- 253.06935 150.4
[M]+ 232.09413 156.7
[M]- 232.09523 156.7
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.