CID 69277473

1-(3,5-dimethoxypyridin-4-yl)methanamine dihydrochloride

Structural Information

Molecular Formula
C8H12N2O2
SMILES
COC1=CN=CC(=C1CN)OC
InChI
InChI=1S/C8H12N2O2/c1-11-7-4-10-5-8(12-2)6(7)3-9/h4-5H,3,9H2,1-2H3
InChIKey
CULPPBJHCVRIEI-UHFFFAOYSA-N
Compound name
(3,5-dimethoxypyridin-4-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

168.08987 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.09715 134.1
[M+Na]+ 191.07909 142.9
[M-H]- 167.08259 136.5
[M+NH4]+ 186.12369 153.3
[M+K]+ 207.05303 141.8
[M+H-H2O]+ 151.08713 127.5
[M+HCOO]- 213.08807 158.6
[M+CH3COO]- 227.10372 181.4
[M+Na-2H]- 189.06454 140.7
[M]+ 168.08932 136.1
[M]- 168.09042 136.1
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