CID 81612

2,4-diethoxy-5-methylpyrimidine

Structural Information

Molecular Formula
C9H14N2O2
SMILES
CCOC1=NC(=NC=C1C)OCC
InChI
InChI=1S/C9H14N2O2/c1-4-12-8-7(3)6-10-9(11-8)13-5-2/h6H,4-5H2,1-3H3
InChIKey
WXALIABDZXPJLE-UHFFFAOYSA-N
Compound name
2,4-diethoxy-5-methylpyrimidine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

126
Patents

182.10553 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.11281 138.7
[M+Na]+ 205.09475 147.9
[M-H]- 181.09825 139.9
[M+NH4]+ 200.13935 156.5
[M+K]+ 221.06869 146.8
[M+H-H2O]+ 165.10279 131.3
[M+HCOO]- 227.10373 161.1
[M+CH3COO]- 241.11938 183.0
[M+Na-2H]- 203.08020 145.5
[M]+ 182.10498 143.3
[M]- 182.10608 143.3
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