CID 21466113

4,6-dimethoxypyrimidine-2-carbonitrile

Structural Information

Molecular Formula
C7H7N3O2
SMILES
COC1=CC(=NC(=N1)C#N)OC
InChI
InChI=1S/C7H7N3O2/c1-11-6-3-7(12-2)10-5(4-8)9-6/h3H,1-2H3
InChIKey
JKBOPKHTARFXNE-UHFFFAOYSA-N
Compound name
4,6-dimethoxypyrimidine-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

30
Patents

165.05383 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.06111 127.6
[M+Na]+ 188.04305 138.6
[M-H]- 164.04655 128.3
[M+NH4]+ 183.08765 143.8
[M+K]+ 204.01699 137.7
[M+H-H2O]+ 148.05109 113.7
[M+HCOO]- 210.05203 146.8
[M+CH3COO]- 224.06768 190.8
[M+Na-2H]- 186.02850 135.1
[M]+ 165.05328 125.7
[M]- 165.05438 125.7
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