CID 22208

1,3-dihydroimidazol-2-one

Structural Information

Molecular Formula
C3H4N2O
SMILES
C1=CNC(=O)N1
InChI
InChI=1S/C3H4N2O/c6-3-4-1-2-5-3/h1-2H,(H2,4,5,6)
InChIKey
AICIYIDUYNFPRY-UHFFFAOYSA-N
Compound name
1,3-dihydroimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

9
References

6650
Patents

84.032364 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 85.039640 112.3
[M+Na]+ 107.02158 123.4
[M+NH4]+ 102.06619 119.9
[M+K]+ 122.99552 120.5
[M-H]- 83.025088 111.3
[M+Na-2H]- 105.00703 117.9
[M]+ 84.031815 113.2
[M]- 84.032913 113.2
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