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	143.6
[M+Na]+	221.07842	147.1
[M-H]-	197.08192	146.4
[M+NH4]+	216.12302	155.7
[M+K]+	237.05236	150.5
[M+H-H2O]+	181.08646	132.7
[M+HCOO]-	243.08740	162.7
[M+CH3COO]-	257.10305	187.7
[M+Na-2H]-	219.06387	144.5
[M]+	198.08865	153.5
[M]-	198.08975	153.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe