CID 117001878

1-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridin-2-yl]methanamine dihydrochloride

Structural Information

Molecular Formula
C14H14N2O2
SMILES
C1COC2=C(O1)C=CC(=C2)C3=CC=CC(=N3)CN
InChI
InChI=1S/C14H14N2O2/c15-9-11-2-1-3-12(16-11)10-4-5-13-14(8-10)18-7-6-17-13/h1-5,8H,6-7,9,15H2
InChIKey
PDKNNQRSEHWGHR-UHFFFAOYSA-N
Compound name
[6-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridin-2-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.10553 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.11281 154.6
[M+Na]+ 265.09475 169.5
[M+NH4]+ 260.13935 163.6
[M+K]+ 281.06869 162.4
[M-H]- 241.09825 162.5
[M+Na-2H]- 263.08020 162.2
[M]+ 242.10498 159.1
[M]- 242.10608 159.1
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.