CID 66647

Methyl dimethoxyacetate

Structural Information

Molecular Formula

C₅H₁₀O₄

SMILES

COC(C(=O)OC)OC

InChI

InChI=1S/C5H10O4/c1-7-4(6)5(8-2)9-3/h5H,1-3H3

InChIKey

NZTCVGHPDWAALP-UHFFFAOYSA-N

Compound name

methyl 2,2-dimethoxyacetate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 727
Patents: 134.0579 Da
Monoisotopic Mass: 0.0
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]+	135.065176	124.7
[M+Na]+	157.047118	132.2
[M-H]-	133.050624	125.3
[M+NH4]+	152.091723	146.6
[M+K]+	173.021058	134.5
[M+H-H2O]+	117.055160	120.1
[M+HCOO]-	179.056101	148.0
[M+CH3COO]-	193.071751	172.2
[M+Na-2H]-	155.032566	129.9
[M]+	134.05735142	129.4
[M]-	134.05844858	129.4

Literature stripe

literature stripe

Patent stripe

patents stripe