CID 726938

2,4,6-trimethoxypyrimidine

Structural Information

Molecular Formula
C7H10N2O3
SMILES
COC1=CC(=NC(=N1)OC)OC
InChI
InChI=1S/C7H10N2O3/c1-10-5-4-6(11-2)9-7(8-5)12-3/h4H,1-3H3
InChIKey
RJVAFLZWVUIBOU-UHFFFAOYSA-N
Compound name
2,4,6-trimethoxypyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

475
Patents

170.06914 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.07642 132.3
[M+Na]+ 193.05836 142.3
[M-H]- 169.06186 133.9
[M+NH4]+ 188.10296 150.5
[M+K]+ 209.03230 142.2
[M+H-H2O]+ 153.06640 125.1
[M+HCOO]- 215.06734 155.6
[M+CH3COO]- 229.08299 179.0
[M+Na-2H]- 191.04381 140.2
[M]+ 170.06859 137.6
[M]- 170.06969 137.6
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