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

353
Patents

114.04293 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.05021 121.3
[M+Na]+ 137.03215 128.1
[M-H]- 113.03565 121.5
[M+NH4]+ 132.07675 142.9
[M+K]+ 153.00609 128.0
[M+H-H2O]+ 97.040190 116.3
[M+HCOO]- 159.04113 146.2
[M+CH3COO]- 173.05678 171.7
[M+Na-2H]- 135.01760 126.1
[M]+ 114.04238 118.3
[M]- 114.04348 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.