CID 68624281

1222955-59-0

Structural Information

Molecular Formula

C₁₀H₁₄O₄

SMILES

CCOC(=O)C(=O)CC(=O)C1CCC1

InChI

InChI=1S/C10H14O4/c1-2-14-10(13)9(12)6-8(11)7-4-3-5-7/h7H,2-6H2,1H3

InChIKey

QHIAUQJBVQTXSM-UHFFFAOYSA-N

Compound name

ethyl 4-cyclobutyl-2,4-dioxobutanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 42
Patents: 198.0892 Da
Monoisotopic Mass: 1.2
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	147.4
[M+Na]+	221.07842	150.9
[M+NH4]+	216.12302	149.2
[M+K]+	237.05236	149.4
[M-H]-	197.08192	143.2
[M+Na-2H]-	219.06387	146.6
[M]+	198.08865	145.0
[M]-	198.08975	145.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe