CID 3598523

1-(4-bromophenyl)-2-oxopyrrolidine-3-carboxylic acid

Structural Information

Molecular Formula
C11H10BrNO3
SMILES
C1CN(C(=O)C1C(=O)O)C2=CC=C(C=C2)Br
InChI
InChI=1S/C11H10BrNO3/c12-7-1-3-8(4-2-7)13-6-5-9(10(13)14)11(15)16/h1-4,9H,5-6H2,(H,15,16)
InChIKey
PHJMARYQKJGPKG-UHFFFAOYSA-N
Compound name
1-(4-bromophenyl)-2-oxopyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

282.9844 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.99168 157.1
[M+Na]+ 305.97362 158.9
[M+NH4]+ 301.01822 160.5
[M+K]+ 321.94756 161.4
[M-H]- 281.97712 156.9
[M+Na-2H]- 303.95907 158.6
[M]+ 282.98385 155.8
[M]- 282.98495 155.8
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