CID 85916

2-butenamide, 3-amino-

Structural Information

Molecular Formula
C4H8N2O
SMILES
CC(=CC(=O)N)N
InChI
InChI=1S/C4H8N2O/c1-3(5)2-4(6)7/h2H,5H2,1H3,(H2,6,7)
InChIKey
UAUSQEVPWPGBHG-UHFFFAOYSA-N
Compound name
3-aminobut-2-enamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

59
Patents

100.06366 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 101.07094 120.2
[M+Na]+ 123.05288 126.7
[M-H]- 99.056384 119.9
[M+NH4]+ 118.09748 142.2
[M+K]+ 139.02682 126.4
[M+H-H2O]+ 83.060920 115.4
[M+HCOO]- 145.06186 144.0
[M+CH3COO]- 159.07751 170.6
[M+Na-2H]- 121.03833 123.9
[M]+ 100.06311 115.6
[M]- 100.06421 115.6
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

patents stripe