CID 11106188

1-(bromoacetyl)pyrrolidine

Structural Information

Molecular Formula

C₆H₁₀BrNO

SMILES

C1CCN(C1)C(=O)CBr

InChI

InChI=1S/C6H10BrNO/c7-5-6(9)8-3-1-2-4-8/h1-5H2

InChIKey

SPHXSIXITGVYAA-UHFFFAOYSA-N

Compound name

2-bromo-1-pyrrolidin-1-ylethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 302
Patents: 190.99458 Da
Monoisotopic Mass: 1.0
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	136.6
[M+Na]+	213.98380	146.8
[M-H]-	189.98730	141.1
[M+NH4]+	209.02840	159.9
[M+K]+	229.95774	137.4
[M+H-H2O]+	173.99184	136.6
[M+HCOO]-	235.99278	155.8
[M+CH3COO]-	250.00843	178.0
[M+Na-2H]-	211.96925	141.7
[M]+	190.99403	152.4
[M]-	190.99513	152.4

Literature stripe

literature stripe

Patent stripe

patents stripe