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

47
Patents

180.01894 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.02622 132.1
[M+Na]+ 203.00816 140.2
[M-H]- 179.01166 132.7
[M+NH4]+ 198.05276 153.0
[M+K]+ 218.98210 139.8
[M+H-H2O]+ 163.01620 128.7
[M+HCOO]- 225.01714 150.0
[M+CH3COO]- 239.03279 178.4
[M+Na-2H]- 200.99361 135.4
[M]+ 180.01839 137.7
[M]- 180.01949 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