CID 105428320

1784614-04-5

Structural Information

Molecular Formula

C₇H₁₀O₃

SMILES

CC(=O)CC1(CC1)C(=O)O

InChI

InChI=1S/C7H10O3/c1-5(8)4-7(2-3-7)6(9)10/h2-4H2,1H3,(H,9,10)

InChIKey

RCVKECHCOQFOFF-UHFFFAOYSA-N

Compound name

1-(2-oxopropyl)cyclopropane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 142.06299 Da
Monoisotopic Mass: -0.3
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	129.1
[M+Na]+	165.05221	138.2
[M-H]-	141.05571	132.8
[M+NH4]+	160.09681	146.8
[M+K]+	181.02615	137.2
[M+H-H2O]+	125.06025	125.1
[M+HCOO]-	187.06119	150.2
[M+CH3COO]-	201.07684	175.1
[M+Na-2H]-	163.03766	134.5
[M]+	142.06244	132.3
[M]-	142.06354	132.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe