CID 16213729

4-cyclopropyl-4-oxobutyric acid

Structural Information

Molecular Formula

C₇H₁₀O₃

SMILES

C1CC1C(=O)CCC(=O)O

InChI

InChI=1S/C7H10O3/c8-6(5-1-2-5)3-4-7(9)10/h5H,1-4H2,(H,9,10)

InChIKey

ISZLFKWEBSKHTO-UHFFFAOYSA-N

Compound name

4-cyclopropyl-4-oxobutanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 112
Patents: 142.06299 Da
Monoisotopic Mass: -0.2
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]+	143.07027	130.4
[M+Na]+	165.05221	140.9
[M+NH4]+	160.09681	137.9
[M+K]+	181.02615	138.6
[M-H]-	141.05571	136.4
[M+Na-2H]-	163.03766	136.2
[M]+	142.06244	134.3
[M]-	142.06354	134.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe