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)-2-pyridinyl]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]+ 243.112806 154.3
[M+Na]+ 265.094748 161.6
[M-H]- 241.098254 161.1
[M+NH4]+ 260.139353 168.0
[M+K]+ 281.068688 159.8
[M+H-H2O]+ 225.102790 145.5
[M+HCOO]- 287.103731 173.2
[M+CH3COO]- 301.119381 166.2
[M+Na-2H]- 263.080196 162.8
[M]+ 242.10498142 153.0
[M]- 242.10607858 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.