CID 146712342

4-amino-n-methylbut-2-ynamide hydrochloride

Structural Information

Molecular Formula
C5H8N2O
SMILES
CNC(=O)C#CCN
InChI
InChI=1S/C5H8N2O/c1-7-5(8)3-2-4-6/h4,6H2,1H3,(H,7,8)
InChIKey
RCABTCHMTFFLJM-UHFFFAOYSA-N
Compound name
4-amino-N-methylbut-2-ynamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

112.06366 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.07094 125.1
[M+Na]+ 135.05288 133.4
[M-H]- 111.05638 124.4
[M+NH4]+ 130.09748 144.6
[M+K]+ 151.02682 132.5
[M+H-H2O]+ 95.060920 114.1
[M+HCOO]- 157.06186 144.2
[M+CH3COO]- 171.07751 180.5
[M+Na-2H]- 133.03833 129.8
[M]+ 112.06311 117.4
[M]- 112.06421 117.4
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.