CID 27071

Alpha-phenyl-1,4-benzodioxan-6-ethylamine hydrochloride

Structural Information

Molecular Formula
C16H17NO2
SMILES
C1COC2=C(O1)C=CC(=C2)CC(C3=CC=CC=C3)N
InChI
InChI=1S/C16H17NO2/c17-14(13-4-2-1-3-5-13)10-12-6-7-15-16(11-12)19-9-8-18-15/h1-7,11,14H,8-10,17H2
InChIKey
GZEXZRYSGXWVDG-UHFFFAOYSA-N
Compound name
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.12593 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.13321 159.4
[M+Na]+ 278.11515 173.4
[M+NH4]+ 273.15975 168.7
[M+K]+ 294.08909 166.1
[M-H]- 254.11865 167.8
[M+Na-2H]- 276.10060 166.9
[M]+ 255.12538 163.9
[M]- 255.12648 163.9
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.