CID 504

4,5-dihydro-1h-imidazol-5-one

Structural Information

Molecular Formula
C3H4N2O
SMILES
C1C(=O)NC=N1
InChI
InChI=1S/C3H4N2O/c6-3-1-4-2-5-3/h2H,1H2,(H,4,5,6)
InChIKey
CAAMSDWKXXPUJR-UHFFFAOYSA-N
Compound name
1,4-dihydroimidazol-5-one
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

176
References

98471
Patents

84.032364 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 85.039640 112.1
[M+Na]+ 107.02158 120.8
[M-H]- 83.025088 111.8
[M+NH4]+ 102.06619 134.2
[M+K]+ 122.99552 119.9
[M+H-H2O]+ 67.029624 106.0
[M+HCOO]- 129.03056 134.2
[M+CH3COO]- 143.04622 157.5
[M+Na-2H]- 105.00703 119.5
[M]+ 84.031815 108.9
[M]- 84.032913 108.9
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.