CID 93494342

Rac-methyl (1r,3s)-3-(2-chloroacetyl)-2,2-dimethylcyclopropane-1-carboxylate

Structural Information

Molecular Formula
C9H13ClO3
SMILES
CC1([C@H]([C@H]1C(=O)OC)C(=O)CCl)C
InChI
InChI=1S/C9H13ClO3/c1-9(2)6(5(11)4-10)7(9)8(12)13-3/h6-7H,4H2,1-3H3/t6-,7-/m0/s1
InChIKey
LAIZJMBDBAKCOZ-BQBZGAKWSA-N
Compound name
methyl (1R,3S)-3-(2-chloroacetyl)-2,2-dimethylcyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.05533 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.06261 138.4
[M+Na]+ 227.04455 149.4
[M-H]- 203.04805 143.7
[M+NH4]+ 222.08915 156.0
[M+K]+ 243.01849 146.8
[M+H-H2O]+ 187.05259 135.5
[M+HCOO]- 249.05353 156.0
[M+CH3COO]- 263.06918 188.6
[M+Na-2H]- 225.03000 141.9
[M]+ 204.05478 146.5
[M]- 204.05588 146.5
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

No patent data available for this compound.