CID 593005

2,6-dimethoxypyridin-3-amine

Structural Information

Molecular Formula
C7H10N2O2
SMILES
COC1=NC(=C(C=C1)N)OC
InChI
InChI=1S/C7H10N2O2/c1-10-6-4-3-5(8)7(9-6)11-2/h3-4H,8H2,1-2H3
InChIKey
PTBHRJOTANEONS-UHFFFAOYSA-N
Compound name
2,6-dimethoxypyridin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

724
Patents

154.07423 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.08151 129.5
[M+Na]+ 177.06345 138.7
[M-H]- 153.06695 132.0
[M+NH4]+ 172.10805 149.2
[M+K]+ 193.03739 137.8
[M+H-H2O]+ 137.07149 123.1
[M+HCOO]- 199.07243 154.3
[M+CH3COO]- 213.08808 178.4
[M+Na-2H]- 175.04890 136.7
[M]+ 154.07368 131.1
[M]- 154.07478 131.1
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