CID 11159617

2-bromo-n-(prop-2-yn-1-yl)acetamide

Structural Information

Molecular Formula
C5H6BrNO
SMILES
C#CCNC(=O)CBr
InChI
InChI=1S/C5H6BrNO/c1-2-3-7-5(8)4-6/h1H,3-4H2,(H,7,8)
InChIKey
FDXPMNDORQBUDN-UHFFFAOYSA-N
Compound name
2-bromo-N-prop-2-ynylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

74
Patents

174.96329 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.970566 125.2
[M+Na]+ 197.952508 137.7
[M-H]- 173.956014 126.5
[M+NH4]+ 192.997113 146.0
[M+K]+ 213.926448 127.3
[M+H-H2O]+ 157.960550 119.4
[M+HCOO]- 219.961491 144.0
[M+CH3COO]- 233.977141 187.6
[M+Na-2H]- 195.937956 132.1
[M]+ 174.96274142 136.2
[M]- 174.96383858 136.2
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