CID 11229111

72479-05-1

Structural Information

Molecular Formula
C5H8BrNO
SMILES
C1CC(=O)N[C@@H]1CBr
InChI
InChI=1S/C5H8BrNO/c6-3-4-1-2-5(8)7-4/h4H,1-3H2,(H,7,8)/t4-/m0/s1
InChIKey
QFOSFXPTXNRRMF-BYPYZUCNSA-N
Compound name
(5S)-5-(bromomethyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

237
Patents

176.97893 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.98621 131.4
[M+Na]+ 199.96815 142.6
[M-H]- 175.97165 135.0
[M+NH4]+ 195.01275 154.9
[M+K]+ 215.94209 132.1
[M+H-H2O]+ 159.97619 131.9
[M+HCOO]- 221.97713 150.4
[M+CH3COO]- 235.99278 173.5
[M+Na-2H]- 197.95360 137.2
[M]+ 176.97838 146.2
[M]- 176.97948 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

literature stripe

Patent stripe

patents stripe