CID 19872333

114099-96-6

Structural Information

Molecular Formula

C₁₀H₁₄O₄

SMILES

CCCC(=O)OC1=C(OC(C1=O)C)C

InChI

InChI=1S/C10H14O4/c1-4-5-8(11)14-10-7(3)13-6(2)9(10)12/h6H,4-5H2,1-3H3

InChIKey

JOLGAERKCZYHLF-UHFFFAOYSA-N

Compound name

(2,5-dimethyl-4-oxofuran-3-yl) butanoate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 72
Patents: 198.0892 Da
Monoisotopic Mass: 1.6
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]+	199.09648	142.3
[M+Na]+	221.07842	152.5
[M+NH4]+	216.12302	148.9
[M+K]+	237.05236	150.3
[M-H]-	197.08192	143.2
[M+Na-2H]-	219.06387	144.4
[M]+	198.08865	143.7
[M]-	198.08975	143.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe