CID 61552170

3-amino-1-(3-bromophenyl)pyrrolidin-2-one

Structural Information

Molecular Formula
C10H11BrN2O
SMILES
C1CN(C(=O)C1N)C2=CC(=CC=C2)Br
InChI
InChI=1S/C10H11BrN2O/c11-7-2-1-3-8(6-7)13-5-4-9(12)10(13)14/h1-3,6,9H,4-5,12H2
InChIKey
CRPVKUNCTUOQFQ-UHFFFAOYSA-N
Compound name
3-amino-1-(3-bromophenyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.00548 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.01276 152.7
[M+Na]+ 276.99470 154.9
[M+NH4]+ 272.03930 157.3
[M+K]+ 292.96864 156.2
[M-H]- 252.99820 154.3
[M+Na-2H]- 274.98015 155.4
[M]+ 254.00493 152.1
[M]- 254.00603 152.1
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.