CID 14582255

Methyl 2-chloro-3,3-dimethyloxirane-2-carboxylate

Structural Information

Molecular Formula
C6H9ClO3
SMILES
CC1(C(O1)(C(=O)OC)Cl)C
InChI
InChI=1S/C6H9ClO3/c1-5(2)6(7,10-5)4(8)9-3/h1-3H3
InChIKey
OJNZSLBMVTXAQV-UHFFFAOYSA-N
Compound name
methyl 2-chloro-3,3-dimethyloxirane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

164.02402 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.031296 127.3
[M+Na]+ 187.013238 139.1
[M-H]- 163.016744 133.6
[M+NH4]+ 182.057843 146.8
[M+K]+ 202.987178 139.7
[M+H-H2O]+ 147.021280 125.3
[M+HCOO]- 209.022221 145.1
[M+CH3COO]- 223.037871 178.7
[M+Na-2H]- 184.998686 136.2
[M]+ 164.02347142 136.2
[M]- 164.02456858 136.2
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