CID 81111

2-amino-6-hydroxy-5-methyl-1h-pyrimidin-4-one

Structural Information

Molecular Formula
C5H7N3O2
SMILES
CC1=C(N=C(NC1=O)N)O
InChI
InChI=1S/C5H7N3O2/c1-2-3(9)7-5(6)8-4(2)10/h1H3,(H4,6,7,8,9,10)
InChIKey
OTFOORSARCXWKK-UHFFFAOYSA-N
Compound name
2-amino-4-hydroxy-5-methyl-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

34
Patents

141.05383 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.06111 126.4
[M+Na]+ 164.04305 136.9
[M-H]- 140.04655 125.5
[M+NH4]+ 159.08765 144.1
[M+K]+ 180.01699 133.8
[M+H-H2O]+ 124.05109 120.3
[M+HCOO]- 186.05203 147.6
[M+CH3COO]- 200.06768 170.6
[M+Na-2H]- 162.02850 132.7
[M]+ 141.05328 123.7
[M]- 141.05438 123.7
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