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

99
Patents

112.06366 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.07094 125.7
[M+Na]+ 135.05288 133.4
[M+NH4]+ 130.09748 129.2
[M+K]+ 151.02682 127.1
[M-H]- 111.05638 117.4
[M+Na-2H]- 133.03833 125.6
[M]+ 112.06311 123.2
[M]- 112.06421 123.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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