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 149.3
[M+Na]+ 276.99470 160.6
[M-H]- 252.99820 157.0
[M+NH4]+ 272.03930 170.0
[M+K]+ 292.96864 148.9
[M+H-H2O]+ 237.00274 148.2
[M+HCOO]- 299.00368 169.9
[M+CH3COO]- 313.01933 191.9
[M+Na-2H]- 274.98015 153.1
[M]+ 254.00493 164.3
[M]- 254.00603 164.3
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