CID 543653

Acryloylurea

Structural Information

Molecular Formula
C4H6N2O2
SMILES
C=CC(=O)NC(=O)N
InChI
InChI=1S/C4H6N2O2/c1-2-3(7)6-4(5)8/h2H,1H2,(H3,5,6,7,8)
InChIKey
UXGLSABDGQOSET-UHFFFAOYSA-N
Compound name
N-carbamoylprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

355
Patents

114.04293 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.050206 121.3
[M+Na]+ 137.032148 128.1
[M-H]- 113.035654 121.5
[M+NH4]+ 132.076753 142.9
[M+K]+ 153.006088 128.0
[M+H-H2O]+ 97.040190 116.3
[M+HCOO]- 159.041131 146.2
[M+CH3COO]- 173.056781 171.7
[M+Na-2H]- 135.017596 126.1
[M]+ 114.04238142 118.3
[M]- 114.04347858 118.3
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