CID 3079640

126266-90-8

Structural Information

Molecular Formula
C17H19NO2
SMILES
C1C2=C(C=CC(=C2)C(CCC3=CC=CC=C3)N)OCO1
InChI
InChI=1S/C17H19NO2/c18-16(8-6-13-4-2-1-3-5-13)14-7-9-17-15(10-14)11-19-12-20-17/h1-5,7,9-10,16H,6,8,11-12,18H2
InChIKey
QVFFLBRZZFHOGB-UHFFFAOYSA-N
Compound name
1-(4H-1,3-benzodioxin-6-yl)-3-phenylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.14157 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.14885 164.0
[M+Na]+ 292.13079 177.8
[M+NH4]+ 287.17539 173.2
[M+K]+ 308.10473 170.3
[M-H]- 268.13429 172.4
[M+Na-2H]- 290.11624 171.2
[M]+ 269.14102 168.5
[M]- 269.14212 168.5
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.