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

88
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 124.6
[M+Na]+ 172.99760 133.1
[M-H]- 149.00110 125.5
[M+NH4]+ 168.04220 146.7
[M+K]+ 188.97154 132.5
[M+H-H2O]+ 133.00564 121.6
[M+HCOO]- 195.00658 142.6
[M+CH3COO]- 209.02223 174.1
[M+Na-2H]- 170.98305 128.4
[M]+ 150.00783 128.4
[M]- 150.00893 128.4
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