CID 83885369

[2-(6-fluoro-2,4-dihydro-1,3-benzodioxin-8-yl)ethyl](methyl)amine

Structural Information

Molecular Formula
C11H14FNO2
SMILES
CNCCC1=CC(=CC2=C1OCOC2)F
InChI
InChI=1S/C11H14FNO2/c1-13-3-2-8-4-10(12)5-9-6-14-7-15-11(8)9/h4-5,13H,2-3,6-7H2,1H3
InChIKey
NGHCZSGOXWKIDD-UHFFFAOYSA-N
Compound name
2-(6-fluoro-4H-1,3-benzodioxin-8-yl)-N-methylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.10086 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.10814 144.9
[M+Na]+ 234.09008 152.1
[M-H]- 210.09358 149.1
[M+NH4]+ 229.13468 162.0
[M+K]+ 250.06402 151.7
[M+H-H2O]+ 194.09812 137.5
[M+HCOO]- 256.09906 164.3
[M+CH3COO]- 270.11471 189.5
[M+Na-2H]- 232.07553 153.2
[M]+ 211.10031 144.5
[M]- 211.10141 144.5
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.