CID 69528327

Schembl5675331

Structural Information

Molecular Formula

C₆H₁₀BrNO

SMILES

CN1[C@H](CCC1=O)CBr

InChI

InChI=1S/C6H10BrNO/c1-8-5(4-7)2-3-6(8)9/h5H,2-4H2,1H3/t5-/m1/s1

InChIKey

JUPATYQJRQJNSF-RXMQYKEDSA-N

Compound name

(5R)-5-(bromomethyl)-1-methylpyrrolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 190.99458 Da
Monoisotopic Mass: 0.6
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	134.0
[M+Na]+	213.98380	146.2
[M-H]-	189.98730	139.2
[M+NH4]+	209.02840	158.0
[M+K]+	229.95774	136.3
[M+H-H2O]+	173.99184	134.5
[M+HCOO]-	235.99278	154.2
[M+CH3COO]-	250.00843	179.9
[M+Na-2H]-	211.96925	139.2
[M]+	190.99403	151.3
[M]-	190.99513	151.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe