CID 119056855

3-(2-bromoethyl)pyrrolidin-2-one

Structural Information

Molecular Formula

C₆H₁₀BrNO

SMILES

C1CNC(=O)C1CCBr

InChI

InChI=1S/C6H10BrNO/c7-3-1-5-2-4-8-6(5)9/h5H,1-4H2,(H,8,9)

InChIKey

XLLWOGBXABUREF-UHFFFAOYSA-N

Compound name

3-(2-bromoethyl)pyrrolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 190.99458 Da
Monoisotopic Mass: 0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	192.00186	140.2
[M+Na]+	213.98380	140.8
[M+NH4]+	209.02840	144.5
[M+K]+	229.95774	142.5
[M-H]-	189.98730	138.8
[M+Na-2H]-	211.96925	140.6
[M]+	190.99403	138.4
[M]-	190.99513	138.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe