CID 565844

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

Structural Information

Molecular Formula
C5H6ClNO
SMILES
C#CCNC(=O)CCl
InChI
InChI=1S/C5H6ClNO/c1-2-3-7-5(8)4-6/h1H,3-4H2,(H,7,8)
InChIKey
HXLOGOSOYYXKCZ-UHFFFAOYSA-N
Compound name
2-chloro-N-prop-2-ynylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

80
Patents

131.0138 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.02108 124.1
[M+Na]+ 154.00302 134.2
[M-H]- 130.00652 124.0
[M+NH4]+ 149.04762 144.3
[M+K]+ 169.97696 131.2
[M+H-H2O]+ 114.01106 114.7
[M+HCOO]- 176.01200 139.0
[M+CH3COO]- 190.02765 181.4
[M+Na-2H]- 151.98847 129.6
[M]+ 131.01325 120.0
[M]- 131.01435 120.0
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.