CID 24275751

1894165-76-4

Structural Information

Molecular Formula
C12H12BrNO3
SMILES
COC(=O)C1CCC(=O)N1C2=CC=C(C=C2)Br
InChI
InChI=1S/C12H12BrNO3/c1-17-12(16)10-6-7-11(15)14(10)9-4-2-8(13)3-5-9/h2-5,10H,6-7H2,1H3
InChIKey
DWLDCVYQJAFWQM-UHFFFAOYSA-N
Compound name
methyl 1-(4-bromophenyl)-5-oxopyrrolidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.00006 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.00734 160.6
[M+Na]+ 319.98928 162.6
[M+NH4]+ 315.03388 164.1
[M+K]+ 335.96322 164.7
[M-H]- 295.99278 160.8
[M+Na-2H]- 317.97473 162.4
[M]+ 296.99951 159.5
[M]- 297.00061 159.5
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.