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 154.3
[M+Na]+ 265.09475 161.6
[M-H]- 241.09825 161.1
[M+NH4]+ 260.13935 168.0
[M+K]+ 281.06869 159.8
[M+H-H2O]+ 225.10279 145.5
[M+HCOO]- 287.10373 173.2
[M+CH3COO]- 301.11938 166.2
[M+Na-2H]- 263.08020 162.8
[M]+ 242.10498 153.0
[M]- 242.10608 153.0
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.