CID 11344105

Methyl 3-chloro-2-methyl-3-oxopropanoate

Structural Information

Molecular Formula
C5H7ClO3
SMILES
CC(C(=O)OC)C(=O)Cl
InChI
InChI=1S/C5H7ClO3/c1-3(4(6)7)5(8)9-2/h3H,1-2H3
InChIKey
OWRCJIZVGNZKDU-UHFFFAOYSA-N
Compound name
methyl 3-chloro-2-methyl-3-oxopropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

79
Patents

150.00838 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.01566 126.1
[M+Na]+ 172.99760 136.3
[M+NH4]+ 168.04220 133.3
[M+K]+ 188.97154 132.7
[M-H]- 149.00110 124.1
[M+Na-2H]- 170.98305 129.0
[M]+ 150.00783 126.9
[M]- 150.00893 126.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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