CID 53642708

152665-80-0

Structural Information

Molecular Formula
C11H18BrNO3
SMILES
CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)CBr
InChI
InChI=1S/C11H18BrNO3/c1-11(2,3)16-10(15)13-6-4-5-8(13)9(14)7-12/h8H,4-7H2,1-3H3/t8-/m1/s1
InChIKey
AHDOQGYAXYGUQV-MRVPVSSYSA-N
Compound name
tert-butyl (2R)-2-(2-bromoacetyl)pyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

291.047 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.05428 162.9
[M+Na]+ 314.03622 172.2
[M-H]- 290.03972 167.4
[M+NH4]+ 309.08082 182.7
[M+K]+ 330.01016 162.7
[M+H-H2O]+ 274.04426 162.9
[M+HCOO]- 336.04520 178.6
[M+CH3COO]- 350.06085 195.8
[M+Na-2H]- 312.02167 164.7
[M]+ 291.04645 181.6
[M]- 291.04755 181.6
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

patents stripe