CID 20038864

N-(2-amino-2-oxoethyl)acrylamide

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

1087
Patents

128.05858 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.065856 125.6
[M+Na]+ 151.047798 131.9
[M-H]- 127.051304 125.6
[M+NH4]+ 146.092403 146.6
[M+K]+ 167.021738 131.5
[M+H-H2O]+ 111.055840 120.4
[M+HCOO]- 173.056781 150.2
[M+CH3COO]- 187.072431 175.4
[M+Na-2H]- 149.033246 129.9
[M]+ 128.05803142 123.2
[M]- 128.05912858 123.2
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