CID 10445774

Chembl537401

Structural Information

Molecular Formula
C10H16N2O2
SMILES
CCOC1=CN=CC(=C1CN)OCC
InChI
InChI=1S/C10H16N2O2/c1-3-13-9-6-12-7-10(14-4-2)8(9)5-11/h6-7H,3-5,11H2,1-2H3
InChIKey
DBPIEYLNXRQNRY-UHFFFAOYSA-N
Compound name
(3,5-diethoxypyridin-4-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

8
Patents

196.12119 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.12847 143.3
[M+Na]+ 219.11041 151.2
[M-H]- 195.11391 145.3
[M+NH4]+ 214.15501 161.3
[M+K]+ 235.08435 149.6
[M+H-H2O]+ 179.11845 136.2
[M+HCOO]- 241.11939 167.1
[M+CH3COO]- 255.13504 187.5
[M+Na-2H]- 217.09586 148.9
[M]+ 196.12064 146.0
[M]- 196.12174 146.0
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