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

25
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 126.5
[M+Na]+ 187.96815 137.1
[M-H]- 163.97165 129.7
[M+NH4]+ 183.01275 150.2
[M+K]+ 203.94209 127.4
[M+H-H2O]+ 147.97619 126.7
[M+HCOO]- 209.97713 148.6
[M+CH3COO]- 223.99278 178.0
[M+Na-2H]- 185.95360 134.4
[M]+ 164.97838 144.4
[M]- 164.97948 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