CID 53905774

Carbonic acid, 2-ethoxyethyl ethyl ester

Structural Information

Molecular Formula

C₇H₁₄O₄

SMILES

CCOCCOC(=O)OCC

InChI

InChI=1S/C7H14O4/c1-3-9-5-6-11-7(8)10-4-2/h3-6H2,1-2H3

InChIKey

UIVHLJQMLWRKJZ-UHFFFAOYSA-N

Compound name

2-ethoxyethyl ethyl carbonate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 384
Patents: 162.0892 Da
Monoisotopic Mass: 1.1
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]+	163.09648	134.1
[M+Na]+	185.07842	141.1
[M-H]-	161.08192	134.3
[M+NH4]+	180.12302	155.1
[M+K]+	201.05236	142.4
[M+H-H2O]+	145.08646	129.1
[M+HCOO]-	207.08740	157.8
[M+CH3COO]-	221.10305	176.7
[M+Na-2H]-	183.06387	139.5
[M]+	162.08865	140.2
[M]-	162.08975	140.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe