CID 2967780

1-(3-bromophenyl)-5-oxopyrrolidine-3-carboxylic acid

Structural Information

Molecular Formula
C11H10BrNO3
SMILES
C1C(CN(C1=O)C2=CC(=CC=C2)Br)C(=O)O
InChI
InChI=1S/C11H10BrNO3/c12-8-2-1-3-9(5-8)13-6-7(11(15)16)4-10(13)14/h1-3,5,7H,4,6H2,(H,15,16)
InChIKey
NRZUTTBEPRXKBZ-UHFFFAOYSA-N
Compound name
1-(3-bromophenyl)-5-oxopyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.9844 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.99168 154.4
[M+Na]+ 305.97362 165.5
[M-H]- 281.97712 161.4
[M+NH4]+ 301.01822 173.7
[M+K]+ 321.94756 154.4
[M+H-H2O]+ 265.98166 154.0
[M+HCOO]- 327.98260 172.6
[M+CH3COO]- 341.99825 192.3
[M+Na-2H]- 303.95907 157.0
[M]+ 282.98385 171.2
[M]- 282.98495 171.2
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.