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]+ 340.054276 172.8
[M+Na]+ 362.036218 183.3
[M-H]- 338.039724 180.9
[M+NH4]+ 357.080823 191.0
[M+K]+ 378.010158 172.7
[M+H-H2O]+ 322.044260 172.3
[M+HCOO]- 384.045201 189.7
[M+CH3COO]- 398.060851 204.3
[M+Na-2H]- 360.021666 174.7
[M]+ 339.04645142 192.0
[M]- 339.04754858 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.