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 136.8
[M+Na]+ 227.99944 148.9
[M-H]- 204.00294 140.8
[M+NH4]+ 223.04404 161.4
[M+K]+ 243.97338 138.0
[M+H-H2O]+ 188.00748 138.3
[M+HCOO]- 250.00842 155.3
[M+CH3COO]- 264.02407 179.8
[M+Na-2H]- 225.98489 142.3
[M]+ 205.00967 153.0
[M]- 205.01077 153.0
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.