CID 87247417

1450983-37-5

Structural Information

Molecular Formula

C₉H₁₈O₅

SMILES

CCOCCOCCOC(=O)OCC

InChI

InChI=1S/C9H18O5/c1-3-11-5-6-12-7-8-14-9(10)13-4-2/h3-8H2,1-2H3

InChIKey

DIKVTMVGJKLRNS-UHFFFAOYSA-N

Compound name

2-(2-ethoxyethoxy)ethyl ethyl carbonate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 206.11542 Da
Monoisotopic Mass: 1.0
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]+	207.12270	145.9
[M+Na]+	229.10464	151.9
[M-H]-	205.10814	145.7
[M+NH4]+	224.14924	165.0
[M+K]+	245.07858	153.2
[M+H-H2O]+	189.11268	140.2
[M+HCOO]-	251.11362	169.2
[M+CH3COO]-	265.12927	184.8
[M+Na-2H]-	227.09009	150.3
[M]+	206.11487	154.2
[M]-	206.11597	154.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe