CID 343428

87892-46-4

Structural Information

Molecular Formula
C8H13N3O4
SMILES
C1=CN(C(=O)N=C1N)COC(CO)CO
InChI
InChI=1S/C8H13N3O4/c9-7-1-2-11(8(14)10-7)5-15-6(3-12)4-13/h1-2,6,12-13H,3-5H2,(H2,9,10,14)
InChIKey
AOVVOPPTVPIDKZ-UHFFFAOYSA-N
Compound name
4-amino-1-(1,3-dihydroxypropan-2-yloxymethyl)pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

28
Patents

215.0906 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.09788 144.7
[M+Na]+ 238.07982 152.3
[M-H]- 214.08332 142.9
[M+NH4]+ 233.12442 158.8
[M+K]+ 254.05376 150.2
[M+H-H2O]+ 198.08786 137.2
[M+HCOO]- 260.08880 164.4
[M+CH3COO]- 274.10445 183.9
[M+Na-2H]- 236.06527 149.1
[M]+ 215.09005 144.9
[M]- 215.09115 144.9
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