CID 155821580

2358049-59-7

Structural Information

Molecular Formula
C15H18BrNO3
SMILES
CC(C)(C)OC(=O)N1CCC(=O)C1C2=CC(=CC=C2)Br
InChI
InChI=1S/C15H18BrNO3/c1-15(2,3)20-14(19)17-8-7-12(18)13(17)10-5-4-6-11(16)9-10/h4-6,9,13H,7-8H2,1-3H3
InChIKey
NXPZXOPWJPSREU-UHFFFAOYSA-N
Compound name
tert-butyl 2-(3-bromophenyl)-3-oxopyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.047 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.05428 172.8
[M+Na]+ 362.03622 183.3
[M-H]- 338.03972 180.9
[M+NH4]+ 357.08082 191.0
[M+K]+ 378.01016 172.7
[M+H-H2O]+ 322.04426 172.3
[M+HCOO]- 384.04520 189.7
[M+CH3COO]- 398.06085 204.3
[M+Na-2H]- 360.02167 174.7
[M]+ 339.04645 192.0
[M]- 339.04755 192.0
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.