CID 154814223

Rac-tert-butyl (2r,3s,4r)-2-(bromomethyl)-3,4-dimethoxypyrrolidine-1-carboxylate

Structural Information

Molecular Formula
C12H22BrNO4
SMILES
CC(C)(C)OC(=O)N1C[C@H]([C@H]([C@@H]1CBr)OC)OC
InChI
InChI=1S/C12H22BrNO4/c1-12(2,3)18-11(15)14-7-9(16-4)10(17-5)8(14)6-13/h8-10H,6-7H2,1-5H3/t8-,9+,10-/m0/s1
InChIKey
DLUVDASFTOEFNO-AEJSXWLSSA-N
Compound name
tert-butyl (2R,3S,4R)-2-(bromomethyl)-3,4-dimethoxypyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.0732 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.08048 169.3
[M+Na]+ 346.06242 179.6
[M-H]- 322.06592 174.1
[M+NH4]+ 341.10702 188.5
[M+K]+ 362.03636 170.5
[M+H-H2O]+ 306.07046 169.2
[M+HCOO]- 368.07140 185.6
[M+CH3COO]- 382.08705 202.9
[M+Na-2H]- 344.04787 170.7
[M]+ 323.07265 191.6
[M]- 323.07375 191.6
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.