CID 126970846

5-(bromomethyl)-3,3-dimethylpyrrolidin-2-one

Structural Information

Molecular Formula
C7H12BrNO
SMILES
CC1(CC(NC1=O)CBr)C
InChI
InChI=1S/C7H12BrNO/c1-7(2)3-5(4-8)9-6(7)10/h5H,3-4H2,1-2H3,(H,9,10)
InChIKey
JPKDAZPSYHEHEN-UHFFFAOYSA-N
Compound name
5-(bromomethyl)-3,3-dimethylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.01022 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.01750 144.1
[M+Na]+ 227.99944 144.9
[M+NH4]+ 223.04404 149.5
[M+K]+ 243.97338 145.2
[M-H]- 204.00294 142.7
[M+Na-2H]- 225.98489 145.4
[M]+ 205.00967 142.5
[M]- 205.01077 142.5
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

No patent data available for this compound.