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

78
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

literature stripe

Patent stripe

patents stripe