CID 165941410

Tert-butyl 3-(3-bromo-2-oxopyrrolidin-1-yl)azetidine-1-carboxylate

Structural Information

Molecular Formula
C12H19BrN2O3
SMILES
CC(C)(C)OC(=O)N1CC(C1)N2CCC(C2=O)Br
InChI
InChI=1S/C12H19BrN2O3/c1-12(2,3)18-11(17)14-6-8(7-14)15-5-4-9(13)10(15)16/h8-9H,4-7H2,1-3H3
InChIKey
QUUTUHSHJFLPOH-UHFFFAOYSA-N
Compound name
tert-butyl 3-(3-bromo-2-oxopyrrolidin-1-yl)azetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.05792 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.06520 159.3
[M+Na]+ 341.04714 167.7
[M-H]- 317.05064 165.6
[M+NH4]+ 336.09174 171.0
[M+K]+ 357.02108 161.1
[M+H-H2O]+ 301.05518 154.2
[M+HCOO]- 363.05612 173.0
[M+CH3COO]- 377.07177 203.6
[M+Na-2H]- 339.03259 160.7
[M]+ 318.05737 184.9
[M]- 318.05847 184.9
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.