CID 27071

1,4-benzodioxan-6-ethylamine, alpha-phenyl-, 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 158.8
[M+Na]+ 278.11515 163.9
[M-H]- 254.11865 166.3
[M+NH4]+ 273.15975 172.9
[M+K]+ 294.08909 162.4
[M+H-H2O]+ 238.12319 150.6
[M+HCOO]- 300.12413 177.3
[M+CH3COO]- 314.13978 170.0
[M+Na-2H]- 276.10060 165.7
[M]+ 255.12538 156.6
[M]- 255.12648 156.6
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.