CID 19758377

2-ethoxyethyl hydrogen carbonate, magnesium salt

Structural Information

Molecular Formula

C₅H₁₀O₄

SMILES

CCOCCOC(=O)O

InChI

InChI=1S/C5H10O4/c1-2-8-3-4-9-5(6)7/h2-4H2,1H3,(H,6,7)

InChIKey

BQDKFFICLVYWIA-UHFFFAOYSA-N

Compound name

2-ethoxyethyl hydrogen carbonate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 87
Patents: 134.0579 Da
Monoisotopic Mass: 0.4
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	125.4
[M+Na]+	157.047118	132.7
[M-H]-	133.050624	124.5
[M+NH4]+	152.091723	146.6
[M+K]+	173.021058	133.6
[M+H-H2O]+	117.055160	120.9
[M+HCOO]-	179.056101	148.2
[M+CH3COO]-	193.071751	168.7
[M+Na-2H]-	155.032566	131.3
[M]+	134.05735142	128.8
[M]-	134.05844858	128.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe