CID 11182954

3-bromo-1-methylpyrrolidin-2-one

Structural Information

Molecular Formula
C5H8BrNO
SMILES
CN1CCC(C1=O)Br
InChI
InChI=1S/C5H8BrNO/c1-7-3-2-4(6)5(7)8/h4H,2-3H2,1H3
InChIKey
NFFDSZJZQBYUKM-UHFFFAOYSA-N
Compound name
3-bromo-1-methylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

334
Patents

176.97893 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.98621 129.4
[M+Na]+ 199.96815 142.0
[M-H]- 175.97165 134.7
[M+NH4]+ 195.01275 153.9
[M+K]+ 215.94209 132.4
[M+H-H2O]+ 159.97619 130.1
[M+HCOO]- 221.97713 149.9
[M+CH3COO]- 235.99278 177.1
[M+Na-2H]- 197.95360 135.2
[M]+ 176.97838 146.3
[M]- 176.97948 146.3
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