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: 156
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]+	115.038966	119.9
[M+Na]+	137.020908	129.2
[M-H]-	113.024414	123.6
[M+NH4]+	132.065513	136.8
[M+K]+	152.994848	127.7
[M+H-H2O]+	97.028950	114.8
[M+HCOO]-	159.029891	142.0
[M+CH3COO]-	173.045541	169.7
[M+Na-2H]-	135.006356	125.2
[M]+	114.03114142	121.9
[M]-	114.03223858	121.9

Literature stripe

literature stripe

Patent stripe

patents stripe