CID 155819934

Rac-tert-butyl (3r,4r)-3-bromo-4-methylpyrrolidine-1-carboxylate

Structural Information

Molecular Formula
C10H18BrNO2
SMILES
C[C@@H]1CN(C[C@@H]1Br)C(=O)OC(C)(C)C
InChI
InChI=1S/C10H18BrNO2/c1-7-5-12(6-8(7)11)9(13)14-10(2,3)4/h7-8H,5-6H2,1-4H3/t7-,8+/m1/s1
InChIKey
FEXGUYGWUMPQLK-SFYZADRCSA-N
Compound name
tert-butyl (3R,4R)-3-bromo-4-methylpyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.0521 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.05938 156.5
[M+Na]+ 286.04132 167.3
[M-H]- 262.04482 161.5
[M+NH4]+ 281.08592 178.0
[M+K]+ 302.01526 157.7
[M+H-H2O]+ 246.04936 156.9
[M+HCOO]- 308.05030 173.2
[M+CH3COO]- 322.06595 192.3
[M+Na-2H]- 284.02677 159.2
[M]+ 263.05155 175.2
[M]- 263.05265 175.2
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

No patent data available for this compound.