CID 124266

4h-imidazol-4-one, 2-amino-1,5-dihydro-5-hydroxy-1-methyl-, hydrochloride (1:1)

Structural Information

Molecular Formula
C4H7N3O2
SMILES
CN1C(C(=O)N=C1N)O
InChI
InChI=1S/C4H7N3O2/c1-7-3(9)2(8)6-4(7)5/h3,9H,1H3,(H2,5,6,8)
InChIKey
SMQPRZPBBUJEGU-UHFFFAOYSA-N
Compound name
2-amino-4-hydroxy-3-methyl-4H-imidazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

26
References

4
Patents

129.05383 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.06111 123.1
[M+Na]+ 152.04305 133.2
[M-H]- 128.04655 123.3
[M+NH4]+ 147.08765 143.6
[M+K]+ 168.01699 131.8
[M+H-H2O]+ 112.05109 117.1
[M+HCOO]- 174.05203 145.5
[M+CH3COO]- 188.06768 170.3
[M+Na-2H]- 150.02850 127.2
[M]+ 129.05328 121.1
[M]- 129.05438 121.1
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