CID 10103471

3-bromopyrrolidin-2-one

Structural Information

Molecular Formula
C4H6BrNO
SMILES
C1CNC(=O)C1Br
InChI
InChI=1S/C4H6BrNO/c5-3-1-2-6-4(3)7/h3H,1-2H2,(H,6,7)
InChIKey
GVPDRYJFYUWXQK-UHFFFAOYSA-N
Compound name
3-bromopyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

381
Patents

162.96329 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.97057 126.9
[M+Na]+ 185.95251 138.5
[M-H]- 161.95601 130.6
[M+NH4]+ 180.99711 150.8
[M+K]+ 201.92645 128.2
[M+H-H2O]+ 145.96055 127.5
[M+HCOO]- 207.96149 146.2
[M+CH3COO]- 221.97714 170.7
[M+Na-2H]- 183.93796 133.2
[M]+ 162.96274 141.2
[M]- 162.96384 141.2
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