CID 16777562

1-(2-bromobenzoyl)pyrrolidine-2-carboxylic acid

Structural Information

Molecular Formula
C12H12BrNO3
SMILES
C1CC(N(C1)C(=O)C2=CC=CC=C2Br)C(=O)O
InChI
InChI=1S/C12H12BrNO3/c13-9-5-2-1-4-8(9)11(15)14-7-3-6-10(14)12(16)17/h1-2,4-5,10H,3,6-7H2,(H,16,17)
InChIKey
MVRSZMRZARVISV-UHFFFAOYSA-N
Compound name
1-(2-bromobenzoyl)pyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

297.00006 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.00734 160.4
[M+Na]+ 319.98928 161.3
[M+NH4]+ 315.03388 163.5
[M+K]+ 335.96322 164.2
[M-H]- 295.99278 159.9
[M+Na-2H]- 317.97473 161.6
[M]+ 296.99951 158.9
[M]- 297.00061 158.9
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

patents stripe