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]+ 189.98621 129.2
[M+Na]+ 211.96815 141.4
[M-H]- 187.97165 130.3
[M+NH4]+ 207.01275 149.5
[M+K]+ 227.94209 130.7
[M+H-H2O]+ 171.97619 123.2
[M+HCOO]- 233.97713 147.7
[M+CH3COO]- 247.99278 190.1
[M+Na-2H]- 209.95360 135.7
[M]+ 188.97838 140.5
[M]- 188.97948 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.