CID 12211938

Potassium 2-cyclopropyl-2-oxoacetate

Structural Information

Molecular Formula

C₅H₆O₃

SMILES

C1CC1C(=O)C(=O)O

InChI

InChI=1S/C5H6O3/c6-4(5(7)8)3-1-2-3/h3H,1-2H2,(H,7,8)

InChIKey

LCSYJVAKMPOJIB-UHFFFAOYSA-N

Compound name

2-cyclopropyl-2-oxoacetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 135
Patents: 114.03169 Da
Monoisotopic Mass: 0.1
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]+	115.03897	122.9
[M+Na]+	137.02091	133.7
[M+NH4]+	132.06551	130.7
[M+K]+	152.99485	131.8
[M-H]-	113.02441	129.0
[M+Na-2H]-	135.00636	129.1
[M]+	114.03114	126.9
[M]-	114.03224	126.9

Literature stripe

literature stripe

Patent stripe

patents stripe