CID 10729590

1-benzyl-3-bromopyrrolidin-2-one

Structural Information

Molecular Formula
C11H12BrNO
SMILES
C1CN(C(=O)C1Br)CC2=CC=CC=C2
InChI
InChI=1S/C11H12BrNO/c12-10-6-7-13(11(10)14)8-9-4-2-1-3-5-9/h1-5,10H,6-8H2
InChIKey
JDALTJHKFDANJI-UHFFFAOYSA-N
Compound name
1-benzyl-3-bromopyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

253.01022 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.01750 152.7
[M+Na]+ 275.99944 155.7
[M+NH4]+ 271.04404 157.7
[M+K]+ 291.97338 156.2
[M-H]- 252.00294 154.2
[M+Na-2H]- 273.98489 156.0
[M]+ 253.00967 152.3
[M]- 253.01077 152.3
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