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

306
Patents

176.97893 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.986206 129.4
[M+Na]+ 199.968148 142.0
[M-H]- 175.971654 134.7
[M+NH4]+ 195.012753 153.9
[M+K]+ 215.942088 132.4
[M+H-H2O]+ 159.976190 130.1
[M+HCOO]- 221.977131 149.9
[M+CH3COO]- 235.992781 177.1
[M+Na-2H]- 197.953596 135.2
[M]+ 176.97838142 146.3
[M]- 176.97947858 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