CID 275440

Ethenylurea

Structural Information

Molecular Formula
C3H6N2O
SMILES
C=CNC(=O)N
InChI
InChI=1S/C3H6N2O/c1-2-5-3(4)6/h2H,1H2,(H3,4,5,6)
InChIKey
FAFWKDXOUWXCDP-UHFFFAOYSA-N
Compound name
ethenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1346
Patents

86.04801 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 87.055286 114.5
[M+Na]+ 109.03723 121.6
[M-H]- 85.040734 114.8
[M+NH4]+ 104.08183 137.3
[M+K]+ 125.01117 121.4
[M+H-H2O]+ 69.045270 109.8
[M+HCOO]- 131.04621 140.2
[M+CH3COO]- 145.06186 167.2
[M+Na-2H]- 107.02268 121.2
[M]+ 86.047461 111.2
[M]- 86.048559 111.2
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