CID 3076163

130397-01-2

Structural Information

Molecular Formula
C17H19NO2
SMILES
CNC(CC1=CC=CC=C1)C2=CC3=C(C=C2)OCCO3
InChI
InChI=1S/C17H19NO2/c1-18-15(11-13-5-3-2-4-6-13)14-7-8-16-17(12-14)20-10-9-19-16/h2-8,12,15,18H,9-11H2,1H3
InChIKey
KEHPHMSKLAZLEM-UHFFFAOYSA-N
Compound name
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-2-phenylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.14157 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.148846 162.8
[M+Na]+ 292.130788 167.5
[M-H]- 268.134294 170.7
[M+NH4]+ 287.175393 176.6
[M+K]+ 308.104728 166.1
[M+H-H2O]+ 252.138830 154.4
[M+HCOO]- 314.139771 181.6
[M+CH3COO]- 328.155421 173.9
[M+Na-2H]- 290.116236 170.2
[M]+ 269.14102142 161.9
[M]- 269.14211858 161.9
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.