CID 25244467

1h-imidazol-3-ium-5-one

Structural Information

Molecular Formula
C3H3N2O
SMILES
C1=[N+]=CNC1=O
InChI
InChI=1S/C3H2N2O/c6-3-1-4-2-5-3/h1-2H/p+1
InChIKey
JLXZMLLNPNOODV-UHFFFAOYSA-O
Compound name
1H-imidazol-3-ium-5-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

83.024536 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 84.031812 110.1
[M+Na]+ 106.01375 119.8
[M-H]- 82.017260 110.5
[M+NH4]+ 101.05836 132.1
[M+K]+ 121.98769 113.4
[M+H-H2O]+ 66.021796 106.9
[M+HCOO]- 128.02274 133.4
[M+CH3COO]- 142.03839 150.4
[M+Na-2H]- 103.99920 121.0
[M]+ 83.023987 107.1
[M]- 83.025085 107.1
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

patents stripe