CID 137976

2,4-dimethoxypyrimidine

Structural Information

Molecular Formula
C6H8N2O2
SMILES
COC1=NC(=NC=C1)OC
InChI
InChI=1S/C6H8N2O2/c1-9-5-3-4-7-6(8-5)10-2/h3-4H,1-2H3
InChIKey
KEVRHVMWBKFGLO-UHFFFAOYSA-N
Compound name
2,4-dimethoxypyrimidine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

1972
Patents

140.05858 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.065856 125.0
[M+Na]+ 163.047798 134.7
[M-H]- 139.051304 126.4
[M+NH4]+ 158.092403 144.2
[M+K]+ 179.021738 134.3
[M+H-H2O]+ 123.055840 118.0
[M+HCOO]- 185.056781 148.4
[M+CH3COO]- 199.072431 172.8
[M+Na-2H]- 161.033246 134.3
[M]+ 140.05803142 128.1
[M]- 140.05912858 128.1
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