CID 74616

Tetrahydro-5-hydroxy-1h-pyrimidin-2-one

Structural Information

Molecular Formula
C4H8N2O2
SMILES
C1C(CNC(=O)N1)O
InChI
InChI=1S/C4H8N2O2/c7-3-1-5-4(8)6-2-3/h3,7H,1-2H2,(H2,5,6,8)
InChIKey
PZSCGIVZIUKDAJ-UHFFFAOYSA-N
Compound name
5-hydroxy-1,3-diazinan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

215
Patents

116.05858 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.06586 123.8
[M+Na]+ 139.04780 130.1
[M-H]- 115.05130 120.2
[M+NH4]+ 134.09240 141.4
[M+K]+ 155.02174 127.6
[M+H-H2O]+ 99.055840 117.9
[M+HCOO]- 161.05678 139.0
[M+CH3COO]- 175.07243 159.3
[M+Na-2H]- 137.03325 129.2
[M]+ 116.05803 115.5
[M]- 116.05913 115.5
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