CID 13172824

197370-32-4

Structural Information

Molecular Formula

C₇H₁₂O₆

SMILES

CCOC(=O)OCCOC(=O)OC

InChI

InChI=1S/C7H12O6/c1-3-11-7(9)13-5-4-12-6(8)10-2/h3-5H2,1-2H3

InChIKey

SSZGVGWDBPYFPT-UHFFFAOYSA-N

Compound name

2-ethoxycarbonyloxyethyl methyl carbonate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 55
Patents: 192.06339 Da
Monoisotopic Mass: 1.2
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]+	193.07067	139.5
[M+Na]+	215.05261	147.5
[M+NH4]+	210.09721	144.4
[M+K]+	231.02655	144.9
[M-H]-	191.05611	135.9
[M+Na-2H]-	213.03806	140.6
[M]+	192.06284	139.0
[M]-	192.06394	139.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe