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-dimethoxy-4-pyridinyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

168.08987 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.097146 134.1
[M+Na]+ 191.079088 142.9
[M-H]- 167.082594 136.5
[M+NH4]+ 186.123693 153.3
[M+K]+ 207.053028 141.8
[M+H-H2O]+ 151.087130 127.5
[M+HCOO]- 213.088071 158.6
[M+CH3COO]- 227.103721 181.4
[M+Na-2H]- 189.064536 140.7
[M]+ 168.08932142 136.1
[M]- 168.09041858 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