CID 220792

2-bromo-n-ethylacetamide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

283
Patents

164.97893 Da
Monoisotopic Mass

0.3
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

literature stripe

Patent stripe

patents stripe