CID 155821211

Rac-methyl (2r,3s,4r)-3,4-dimethoxypyrrolidine-2-carboxylate hydrochloride

Structural Information

Molecular Formula
C8H15NO4
SMILES
CO[C@@H]1CN[C@H]([C@@H]1OC)C(=O)OC
InChI
InChI=1S/C8H15NO4/c1-11-5-4-9-6(7(5)12-2)8(10)13-3/h5-7,9H,4H2,1-3H3/t5-,6-,7-/m1/s1
InChIKey
RZODYIKYXCEAFJ-FSDSQADBSA-N
Compound name
methyl (2R,3S,4R)-3,4-dimethoxypyrrolidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.10011 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.107386 140.4
[M+Na]+ 212.089328 147.3
[M-H]- 188.092834 141.2
[M+NH4]+ 207.133933 160.0
[M+K]+ 228.063268 147.3
[M+H-H2O]+ 172.097370 134.7
[M+HCOO]- 234.098311 160.3
[M+CH3COO]- 248.113961 178.9
[M+Na-2H]- 210.074776 141.9
[M]+ 189.09956142 141.5
[M]- 189.10065858 141.5
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.