CID 82106040

1-[3-(4-methoxyphenyl)pyridin-2-yl]methanamine dihydrochloride

Structural Information

Molecular Formula
C13H14N2O
SMILES
COC1=CC=C(C=C1)C2=C(N=CC=C2)CN
InChI
InChI=1S/C13H14N2O/c1-16-11-6-4-10(5-7-11)12-3-2-8-15-13(12)9-14/h2-8H,9,14H2,1H3
InChIKey
XXEJMRAGZNXVMI-UHFFFAOYSA-N
Compound name
[3-(4-methoxyphenyl)-2-pyridinyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.11061 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.117886 147.4
[M+Na]+ 237.099828 155.5
[M-H]- 213.103334 152.6
[M+NH4]+ 232.144433 164.2
[M+K]+ 253.073768 151.7
[M+H-H2O]+ 197.107870 139.2
[M+HCOO]- 259.108811 171.5
[M+CH3COO]- 273.124461 190.1
[M+Na-2H]- 235.085276 154.0
[M]+ 214.11006142 147.1
[M]- 214.11115858 147.1
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

No patent data available for this compound.