CID 54508479

3-(bromomethyl)pyrrolidin-2-one

Structural Information

Molecular Formula
C5H8BrNO
SMILES
C1CNC(=O)C1CBr
InChI
InChI=1S/C5H8BrNO/c6-3-4-1-2-7-5(4)8/h4H,1-3H2,(H,7,8)
InChIKey
YHKOCBQKDAVHGT-UHFFFAOYSA-N
Compound name
3-(bromomethyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

176.97893 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.986206 131.4
[M+Na]+ 199.968148 142.6
[M-H]- 175.971654 135.0
[M+NH4]+ 195.012753 154.9
[M+K]+ 215.942088 132.1
[M+H-H2O]+ 159.976190 131.9
[M+HCOO]- 221.977131 150.4
[M+CH3COO]- 235.992781 173.5
[M+Na-2H]- 197.953596 137.2
[M]+ 176.97838142 146.2
[M]- 176.97947858 146.2
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

patents stripe