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

1
Patents

164.02402 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.03130 127.3
[M+Na]+ 187.01324 139.1
[M-H]- 163.01674 133.6
[M+NH4]+ 182.05784 146.8
[M+K]+ 202.98718 139.7
[M+H-H2O]+ 147.02128 125.3
[M+HCOO]- 209.02222 145.1
[M+CH3COO]- 223.03787 178.7
[M+Na-2H]- 184.99869 136.2
[M]+ 164.02347 136.2
[M]- 164.02457 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