CID 201580

6278-55-3

Structural Information

Molecular Formula
C15H15NO2
SMILES
C1OC2=C(O1)C=C(C=C2)C(CC3=CC=CC=C3)N
InChI
InChI=1S/C15H15NO2/c16-13(8-11-4-2-1-3-5-11)12-6-7-14-15(9-12)18-10-17-14/h1-7,9,13H,8,10,16H2
InChIKey
XXUGGVBVWGFUDI-UHFFFAOYSA-N
Compound name
1-(1,3-benzodioxol-5-yl)-2-phenylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

241.11028 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.117556 154.1
[M+Na]+ 264.099498 160.6
[M-H]- 240.103004 162.3
[M+NH4]+ 259.144103 170.9
[M+K]+ 280.073438 159.2
[M+H-H2O]+ 224.107540 147.3
[M+HCOO]- 286.108481 175.3
[M+CH3COO]- 300.124131 166.6
[M+Na-2H]- 262.084946 160.0
[M]+ 241.10973142 153.9
[M]- 241.11082858 153.9
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

patents stripe