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

63
Patents

100.06366 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 101.070936 120.2
[M+Na]+ 123.052878 126.7
[M-H]- 99.056384 119.9
[M+NH4]+ 118.097483 142.2
[M+K]+ 139.026818 126.4
[M+H-H2O]+ 83.060920 115.4
[M+HCOO]- 145.061861 144.0
[M+CH3COO]- 159.077511 170.6
[M+Na-2H]- 121.038326 123.9
[M]+ 100.06311142 115.6
[M]- 100.06420858 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