CID 14779126

5-(hydroxymethyl)-2-methylpyrimidin-4-ol

Structural Information

Molecular Formula
C6H8N2O2
SMILES
CC1=NC=C(C(=O)N1)CO
InChI
InChI=1S/C6H8N2O2/c1-4-7-2-5(3-9)6(10)8-4/h2,9H,3H2,1H3,(H,7,8,10)
InChIKey
ATTZFOQANXUZIP-UHFFFAOYSA-N
Compound name
5-(hydroxymethyl)-2-methyl-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

1
Patents

140.05858 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.06586 125.9
[M+Na]+ 163.04780 135.9
[M-H]- 139.05130 124.9
[M+NH4]+ 158.09240 144.0
[M+K]+ 179.02174 133.0
[M+H-H2O]+ 123.05584 119.8
[M+HCOO]- 185.05678 146.4
[M+CH3COO]- 199.07243 167.9
[M+Na-2H]- 161.03325 133.3
[M]+ 140.05803 124.9
[M]- 140.05913 124.9
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