CID 23033748

3-bromo-n-methylpropanamide

Structural Information

Molecular Formula
C4H8BrNO
SMILES
CNC(=O)CCBr
InChI
InChI=1S/C4H8BrNO/c1-6-4(7)2-3-5/h2-3H2,1H3,(H,6,7)
InChIKey
BPPLGDWGAYFCBR-UHFFFAOYSA-N
Compound name
3-bromo-N-methylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

164.97893 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.986206 126.5
[M+Na]+ 187.968148 137.1
[M-H]- 163.971654 129.7
[M+NH4]+ 183.012753 150.2
[M+K]+ 203.942088 127.4
[M+H-H2O]+ 147.976190 126.7
[M+HCOO]- 209.977131 148.6
[M+CH3COO]- 223.992781 178.0
[M+Na-2H]- 185.953596 134.4
[M]+ 164.97838142 144.4
[M]- 164.97947858 144.4
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