CID 20695

4-hydroxypyrimidine

Structural Information

Molecular Formula
C4H4N2O
SMILES
C1=CN=CNC1=O
InChI
InChI=1S/C4H4N2O/c7-4-1-2-5-3-6-4/h1-3H,(H,5,6,7)
InChIKey
DNCYBUMDUBHIJZ-UHFFFAOYSA-N
Compound name
1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

79
References

19305
Patents

96.032364 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 97.039640 113.1
[M+Na]+ 119.02158 122.6
[M-H]- 95.025088 113.0
[M+NH4]+ 114.06619 133.1
[M+K]+ 134.99552 120.7
[M+H-H2O]+ 79.029624 106.8
[M+HCOO]- 141.03056 135.6
[M+CH3COO]- 155.04622 160.1
[M+Na-2H]- 117.00703 123.6
[M]+ 96.031815 111.0
[M]- 96.032913 111.0
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