CID 19067202

[(chlorocarbonyl)oxy]methyl 2-methylpropanoate

Structural Information

Molecular Formula
C6H9ClO4
SMILES
CC(C)C(=O)OCOC(=O)Cl
InChI
InChI=1S/C6H9ClO4/c1-4(2)5(8)10-3-11-6(7)9/h4H,3H2,1-2H3
InChIKey
JOWSLMCIDSDGEG-UHFFFAOYSA-N
Compound name
carbonochloridoyloxymethyl 2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

180.01894 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.026216 132.1
[M+Na]+ 203.008158 140.2
[M-H]- 179.011664 132.7
[M+NH4]+ 198.052763 153.0
[M+K]+ 218.982098 139.8
[M+H-H2O]+ 163.016200 128.7
[M+HCOO]- 225.017141 150.0
[M+CH3COO]- 239.032791 178.4
[M+Na-2H]- 200.993606 135.4
[M]+ 180.01839142 137.7
[M]- 180.01948858 137.7
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