CID 459429

503-86-6

Structural Information

Molecular Formula
C3H5N3O
SMILES
C1C(=O)NC(=N1)N
InChI
InChI=1S/C3H5N3O/c4-3-5-1-2(7)6-3/h1H2,(H3,4,5,6,7)
InChIKey
TYKJILJOXAHUFO-UHFFFAOYSA-N
Compound name
2-amino-1,4-dihydroimidazol-5-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

451
Patents

99.04326 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 100.050536 116.0
[M+Na]+ 122.032478 124.7
[M-H]- 98.035984 115.5
[M+NH4]+ 117.077083 137.1
[M+K]+ 138.006418 123.2
[M+H-H2O]+ 82.040520 109.6
[M+HCOO]- 144.041461 138.4
[M+CH3COO]- 158.057111 162.7
[M+Na-2H]- 120.017926 122.0
[M]+ 99.04271142 111.4
[M]- 99.04380858 111.4
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