CID 165945574

Tert-butyl (2r,4r)-2-(bromomethyl)-4-methoxypyrrolidine-1-carboxylate

Structural Information

Molecular Formula
C11H20BrNO3
SMILES
CC(C)(C)OC(=O)N1C[C@@H](C[C@@H]1CBr)OC
InChI
InChI=1S/C11H20BrNO3/c1-11(2,3)16-10(14)13-7-9(15-4)5-8(13)6-12/h8-9H,5-7H2,1-4H3/t8-,9-/m1/s1
InChIKey
UNPUQNHSRNDJSV-RKDXNWHRSA-N
Compound name
tert-butyl (2R,4R)-2-(bromomethyl)-4-methoxypyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.06265 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.06993 163.6
[M+Na]+ 316.05187 173.7
[M-H]- 292.05537 168.3
[M+NH4]+ 311.09647 183.7
[M+K]+ 332.02581 164.3
[M+H-H2O]+ 276.05991 163.6
[M+HCOO]- 338.06085 180.1
[M+CH3COO]- 352.07650 197.0
[M+Na-2H]- 314.03732 165.9
[M]+ 293.06210 183.9
[M]- 293.06320 183.9
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.