CID 11694022

75338-17-9

Structural Information

Molecular Formula

C₉H₁₄O₄

SMILES

COC(=O)CC(=O)C1CCOCC1

InChI

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

InChIKey

DJMDVBNUOMSULY-UHFFFAOYSA-N

Compound name

methyl 3-(oxan-4-yl)-3-oxopropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 50
Patents: 186.0892 Da
Monoisotopic Mass: 0.3
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	140.2
[M+Na]+	209.07842	149.3
[M+NH4]+	204.12302	147.0
[M+K]+	225.05236	145.6
[M-H]-	185.08192	141.4
[M+Na-2H]-	207.06387	143.0
[M]+	186.08865	141.4
[M]-	186.08975	141.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe