CID 817704

5-methoxypyrimidin-4-amine

Structural Information

Molecular Formula
C5H7N3O
SMILES
COC1=CN=CN=C1N
InChI
InChI=1S/C5H7N3O/c1-9-4-2-7-3-8-5(4)6/h2-3H,1H3,(H2,6,7,8)
InChIKey
SEEZTIHVTBTNSZ-UHFFFAOYSA-N
Compound name
5-methoxypyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

125.058914 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.066190 122.2
[M+Na]+ 148.048132 131.5
[M-H]- 124.051638 123.2
[M+NH4]+ 143.092737 141.5
[M+K]+ 164.022072 130.3
[M+H-H2O]+ 108.056174 115.2
[M+HCOO]- 170.057115 146.1
[M+CH3COO]- 184.072765 171.9
[M+Na-2H]- 146.033580 131.2
[M]+ 125.05836542 121.7
[M]- 125.05946258 121.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe