CID 24727441

184297-33-4

Structural Information

Molecular Formula

C₉H₁₄O₃

SMILES

CCOC(=O)CCC(=O)C1CC1

InChI

InChI=1S/C9H14O3/c1-2-12-9(11)6-5-8(10)7-3-4-7/h7H,2-6H2,1H3

InChIKey

OCVRWEFEFCNZSW-UHFFFAOYSA-N

Compound name

ethyl 4-cyclopropyl-4-oxobutanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 170.0943 Da
Monoisotopic Mass: 0.5
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]+	171.10158	138.1
[M+Na]+	193.08352	146.3
[M-H]-	169.08702	142.6
[M+NH4]+	188.12812	153.7
[M+K]+	209.05746	144.8
[M+H-H2O]+	153.09156	132.2
[M+HCOO]-	215.09250	160.5
[M+CH3COO]-	229.10815	183.1
[M+Na-2H]-	191.06897	141.8
[M]+	170.09375	143.3
[M]-	170.09485	143.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe