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]+ 256.133206 158.8
[M+Na]+ 278.115148 163.9
[M-H]- 254.118654 166.3
[M+NH4]+ 273.159753 172.9
[M+K]+ 294.089088 162.4
[M+H-H2O]+ 238.123190 150.6
[M+HCOO]- 300.124131 177.3
[M+CH3COO]- 314.139781 170.0
[M+Na-2H]- 276.100596 165.7
[M]+ 255.12538142 156.6
[M]- 255.12647858 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.