CID 136922

Trimethyl methanetricarboxylate

Structural Information

Molecular Formula
C7H10O6
SMILES
COC(=O)C(C(=O)OC)C(=O)OC
InChI
InChI=1S/C7H10O6/c1-11-5(8)4(6(9)12-2)7(10)13-3/h4H,1-3H3
InChIKey
BNOIMFITGLLJTH-UHFFFAOYSA-N
Compound name
trimethyl methanetricarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

178
Patents

190.04774 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.05502 135.6
[M+Na]+ 213.03696 142.5
[M-H]- 189.04046 136.2
[M+NH4]+ 208.08156 155.0
[M+K]+ 229.01090 145.1
[M+H-H2O]+ 173.04500 130.7
[M+HCOO]- 235.04594 157.3
[M+CH3COO]- 249.06159 181.1
[M+Na-2H]- 211.02241 137.7
[M]+ 190.04719 141.3
[M]- 190.04829 141.3
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