CID 588

2-imino-1-methylimidazolidin-4-one

Structural Information

Molecular Formula
C4H7N3O
SMILES
CN1CC(=O)N=C1N
InChI
InChI=1S/C4H7N3O/c1-7-2-3(8)6-4(7)5/h2H2,1H3,(H2,5,6,8)
InChIKey
DDRJAANPRJIHGJ-UHFFFAOYSA-N
Compound name
2-amino-3-methyl-4H-imidazol-5-one
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

96420
References

55537
Patents

113.058914 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.066190 119.6
[M+Na]+ 136.048132 129.3
[M-H]- 112.051638 120.7
[M+NH4]+ 131.092737 141.2
[M+K]+ 152.022072 128.4
[M+H-H2O]+ 96.056174 113.2
[M+HCOO]- 158.057115 143.3
[M+CH3COO]- 172.072765 169.5
[M+Na-2H]- 134.033580 124.9
[M]+ 113.05836542 117.7
[M]- 113.05946258 117.7
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