CID 40361

2-(2-(benzylamino)ethyl)-2-methyl-1,3-benzodioxole hydrochloride

Structural Information

Molecular Formula
C17H19NO2
SMILES
CC1(OC2=CC=CC=C2O1)CCNCC3=CC=CC=C3
InChI
InChI=1S/C17H19NO2/c1-17(19-15-9-5-6-10-16(15)20-17)11-12-18-13-14-7-3-2-4-8-14/h2-10,18H,11-13H2,1H3
InChIKey
ZVGLIUGYLVBPTC-UHFFFAOYSA-N
Compound name
N-benzyl-2-(2-methyl-1,3-benzodioxol-2-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.14157 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.14885 162.6
[M+Na]+ 292.13079 176.1
[M+NH4]+ 287.17539 173.3
[M+K]+ 308.10473 168.1
[M-H]- 268.13429 170.6
[M+Na-2H]- 290.11624 171.2
[M]+ 269.14102 167.1
[M]- 269.14212 167.1
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

No patent data available for this compound.