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

351
Patents

162.96329 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.970566 126.9
[M+Na]+ 185.952508 138.5
[M-H]- 161.956014 130.6
[M+NH4]+ 180.997113 150.8
[M+K]+ 201.926448 128.2
[M+H-H2O]+ 145.960550 127.5
[M+HCOO]- 207.961491 146.2
[M+CH3COO]- 221.977141 170.7
[M+Na-2H]- 183.937956 133.2
[M]+ 162.96274142 141.2
[M]- 162.96383858 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