CID 124266

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

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]+ 130.061106 123.1
[M+Na]+ 152.043048 133.2
[M-H]- 128.046554 123.3
[M+NH4]+ 147.087653 143.6
[M+K]+ 168.016988 131.8
[M+H-H2O]+ 112.051090 117.1
[M+HCOO]- 174.052031 145.5
[M+CH3COO]- 188.067681 170.3
[M+Na-2H]- 150.028496 127.2
[M]+ 129.05328142 121.1
[M]- 129.05437858 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