CID 20038864

2479-62-1

Structural Information

Molecular Formula
C5H8N2O2
SMILES
C=CC(=O)NCC(=O)N
InChI
InChI=1S/C5H8N2O2/c1-2-5(9)7-3-4(6)8/h2H,1,3H2,(H2,6,8)(H,7,9)
InChIKey
GVGGWUXGMRTNIK-UHFFFAOYSA-N
Compound name
N-(2-amino-2-oxoethyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

594
Patents

128.05858 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.06586 126.6
[M+Na]+ 151.04780 134.0
[M+NH4]+ 146.09240 132.7
[M+K]+ 167.02174 130.7
[M-H]- 127.05130 125.3
[M+Na-2H]- 149.03325 128.8
[M]+ 128.05803 126.6
[M]- 128.05913 126.6
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

patents stripe