CID 3079827

1,3-benzodioxole-5-propanamine, beta-phenyl-, hydrochloride

Structural Information

Molecular Formula
C16H17NO2
SMILES
C1OC2=C(O1)C=C(C=C2)CC(CN)C3=CC=CC=C3
InChI
InChI=1S/C16H17NO2/c17-10-14(13-4-2-1-3-5-13)8-12-6-7-15-16(9-12)19-11-18-15/h1-7,9,14H,8,10-11,17H2
InChIKey
FWKWJEBHGYLBCA-UHFFFAOYSA-N
Compound name
3-(1,3-benzodioxol-5-yl)-2-phenylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

255.12593 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.13321 159.1
[M+Na]+ 278.11515 172.0
[M+NH4]+ 273.15975 168.2
[M+K]+ 294.08909 167.0
[M-H]- 254.11865 166.7
[M+Na-2H]- 276.10060 165.6
[M]+ 255.12538 163.1
[M]- 255.12648 163.1
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