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

21
Patents

164.97893 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.98621 127.3
[M+Na]+ 187.96815 128.2
[M+NH4]+ 183.01275 131.7
[M+K]+ 203.94209 129.2
[M-H]- 163.97165 126.0
[M+Na-2H]- 185.95360 128.7
[M]+ 164.97838 125.6
[M]- 164.97948 125.6
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