CID 13266828

1-(bromomethyl)pyrrolidin-2-one

Structural Information

Molecular Formula
C5H8BrNO
SMILES
C1CC(=O)N(C1)CBr
InChI
InChI=1S/C5H8BrNO/c6-4-7-3-1-2-5(7)8/h1-4H2
InChIKey
OYZVJRCGFYXEMW-UHFFFAOYSA-N
Compound name
1-(bromomethyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

176.97893 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.986206 130.2
[M+Na]+ 199.968148 141.9
[M-H]- 175.971654 135.1
[M+NH4]+ 195.012753 154.4
[M+K]+ 215.942088 132.4
[M+H-H2O]+ 159.976190 130.6
[M+HCOO]- 221.977131 150.7
[M+CH3COO]- 235.992781 176.1
[M+Na-2H]- 197.953596 136.5
[M]+ 176.97838142 146.8
[M]- 176.97947858 146.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe