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

164
Patents

114.03169 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.03897 119.9
[M+Na]+ 137.02091 129.2
[M-H]- 113.02441 123.6
[M+NH4]+ 132.06551 136.8
[M+K]+ 152.99485 127.7
[M+H-H2O]+ 97.028950 114.8
[M+HCOO]- 159.02989 142.0
[M+CH3COO]- 173.04554 169.7
[M+Na-2H]- 135.00636 125.2
[M]+ 114.03114 121.9
[M]- 114.03224 121.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe