CID 55270005

861160-58-9

Structural Information

Molecular Formula

C₉H₁₄O₄

SMILES

CCOC(=O)C(=O)C1CCOCC1

InChI

InChI=1S/C9H14O4/c1-2-13-9(11)8(10)7-3-5-12-6-4-7/h7H,2-6H2,1H3

InChIKey

CVGLWLOBDWYVJC-UHFFFAOYSA-N

Compound name

ethyl 2-(oxan-4-yl)-2-oxoacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 186.0892 Da
Monoisotopic Mass: 0.7
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]+	187.09648	139.5
[M+Na]+	209.07842	143.9
[M-H]-	185.08192	142.9
[M+NH4]+	204.12302	157.4
[M+K]+	225.05236	145.4
[M+H-H2O]+	169.08646	133.7
[M+HCOO]-	231.08740	158.2
[M+CH3COO]-	245.10305	179.9
[M+Na-2H]-	207.06387	143.4
[M]+	186.08865	138.9
[M]-	186.08975	138.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe