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

9956
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 111.3
[M+Na]+ 107.021582 120.6
[M-H]- 83.025088 109.9
[M+NH4]+ 102.066187 132.8
[M+K]+ 122.995522 118.4
[M+H-H2O]+ 67.029624 105.4
[M+HCOO]- 129.030565 133.3
[M+CH3COO]- 143.046215 154.6
[M+Na-2H]- 105.007030 119.2
[M]+ 84.03181542 107.7
[M]- 84.03291258 107.7
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