CID 54244501

Ethyl 2-chloro-3-cyclopropyl-3-oxopropanoate

Structural Information

Molecular Formula
C8H11ClO3
SMILES
CCOC(=O)C(C(=O)C1CC1)Cl
InChI
InChI=1S/C8H11ClO3/c1-2-12-8(11)6(9)7(10)5-3-4-5/h5-6H,2-4H2,1H3
InChIKey
QSHKICZTKZLOHX-UHFFFAOYSA-N
Compound name
ethyl 2-chloro-3-cyclopropyl-3-oxopropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

190.03967 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.04695 136.2
[M+Na]+ 213.02889 145.0
[M-H]- 189.03239 140.7
[M+NH4]+ 208.07349 151.7
[M+K]+ 229.00283 142.2
[M+H-H2O]+ 173.03693 131.4
[M+HCOO]- 235.03787 153.6
[M+CH3COO]- 249.05352 184.8
[M+Na-2H]- 211.01434 139.0
[M]+ 190.03912 142.2
[M]- 190.04022 142.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe