CID 12356151

5-ethyl-2-pyrimidinol hydrochloride

Structural Information

Molecular Formula
C6H8N2O
SMILES
CCC1=CNC(=O)N=C1
InChI
InChI=1S/C6H8N2O/c1-2-5-3-7-6(9)8-4-5/h3-4H,2H2,1H3,(H,7,8,9)
InChIKey
SYFKXBRRNSJBSJ-UHFFFAOYSA-N
Compound name
5-ethyl-1H-pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

124.06366 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.07094 122.1
[M+Na]+ 147.05288 131.7
[M-H]- 123.05638 122.1
[M+NH4]+ 142.09748 141.3
[M+K]+ 163.02682 129.2
[M+H-H2O]+ 107.06092 115.6
[M+HCOO]- 169.06186 143.9
[M+CH3COO]- 183.07751 167.3
[M+Na-2H]- 145.03833 130.8
[M]+ 124.06311 121.2
[M]- 124.06421 121.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe