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: 145
Patents: 190.04774 Da
Monoisotopic Mass: 0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.