CID 67428

2-amino-4-methoxypyrimidine

Structural Information

Molecular Formula
C5H7N3O
SMILES
COC1=NC(=NC=C1)N
InChI
InChI=1S/C5H7N3O/c1-9-4-2-3-7-5(6)8-4/h2-3H,1H3,(H2,6,7,8)
InChIKey
YNXLSFXQTQKQEF-UHFFFAOYSA-N
Compound name
4-methoxypyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

329
Patents

125.058914 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.06619 121.9
[M+Na]+ 148.04813 134.6
[M+NH4]+ 143.09274 129.9
[M+K]+ 164.02207 129.3
[M-H]- 124.05164 123.3
[M+Na-2H]- 146.03358 129.4
[M]+ 125.05837 123.9
[M]- 125.05946 123.9
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