CID 53895095

2-aminopent-4-ynamide hydrochloride

Structural Information

Molecular Formula
C5H8N2O
SMILES
C#CCC(C(=O)N)N
InChI
InChI=1S/C5H8N2O/c1-2-3-4(6)5(7)8/h1,4H,3,6H2,(H2,7,8)
InChIKey
HTEIULCKLVWXAB-UHFFFAOYSA-N
Compound name
2-aminopent-4-ynamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

108
Patents

112.06366 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.070936 126.4
[M+Na]+ 135.052878 134.2
[M-H]- 111.056384 125.2
[M+NH4]+ 130.097483 145.3
[M+K]+ 151.026818 133.5
[M+H-H2O]+ 95.060920 115.4
[M+HCOO]- 157.061861 143.9
[M+CH3COO]- 171.077511 182.5
[M+Na-2H]- 133.038326 128.8
[M]+ 112.06311142 117.3
[M]- 112.06420858 117.3
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