CID 23208428

2-amino-n-(prop-2-yn-1-yl)acetamide hydrochloride

Structural Information

Molecular Formula
C5H8N2O
SMILES
C#CCNC(=O)CN
InChI
InChI=1S/C5H8N2O/c1-2-3-7-5(8)4-6/h1H,3-4,6H2,(H,7,8)
InChIKey
HMIGLLCMSYLMJN-UHFFFAOYSA-N
Compound name
2-amino-N-prop-2-ynylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

112.06366 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.07094 125.4
[M+Na]+ 135.05288 133.8
[M+NH4]+ 130.09748 129.2
[M+K]+ 151.02682 126.4
[M-H]- 111.05638 117.4
[M+Na-2H]- 133.03833 126.1
[M]+ 112.06311 123.1
[M]- 112.06421 123.1
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

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