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]+ 212.108136 144.9
[M+Na]+ 234.090078 152.1
[M-H]- 210.093584 149.1
[M+NH4]+ 229.134683 162.0
[M+K]+ 250.064018 151.7
[M+H-H2O]+ 194.098120 137.5
[M+HCOO]- 256.099061 164.3
[M+CH3COO]- 270.114711 189.5
[M+Na-2H]- 232.075526 153.2
[M]+ 211.10031142 144.5
[M]- 211.10140858 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.