CID 53484326

2-bromo-n-(but-3-yn-1-yl)acetamide

Structural Information

Molecular Formula
C6H8BrNO
SMILES
C#CCCNC(=O)CBr
InChI
InChI=1S/C6H8BrNO/c1-2-3-4-8-6(9)5-7/h1H,3-5H2,(H,8,9)
InChIKey
NSDJVZTWXZLKCK-UHFFFAOYSA-N
Compound name
2-bromo-N-but-3-ynylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.97893 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.986206 129.2
[M+Na]+ 211.968148 141.4
[M-H]- 187.971654 130.3
[M+NH4]+ 207.012753 149.5
[M+K]+ 227.942088 130.7
[M+H-H2O]+ 171.976190 123.2
[M+HCOO]- 233.977131 147.7
[M+CH3COO]- 247.992781 190.1
[M+Na-2H]- 209.953596 135.7
[M]+ 188.97838142 140.5
[M]- 188.97947858 140.5
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

No patent data available for this compound.