CID 16213729

53712-75-7

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: 88
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]+	143.070266	128.5
[M+Na]+	165.052208	137.0
[M-H]-	141.055714	131.9
[M+NH4]+	160.096813	144.4
[M+K]+	181.026148	135.0
[M+H-H2O]+	125.060250	123.1
[M+HCOO]-	187.061191	150.0
[M+CH3COO]-	201.076841	175.5
[M+Na-2H]-	163.037656	132.8
[M]+	142.06244142	131.2
[M]-	142.06353858	131.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe