CID 3040518

1-piperidinepropylamine, 3-methyl-n-(2-(2-methyl-1,3-benzodioxol-2-yl)ethyl)-, dihydrochloride

Structural Information

Molecular Formula
C19H30N2O2
SMILES
CC1CCCN(C1)CCCNCCC2(OC3=CC=CC=C3O2)C
InChI
InChI=1S/C19H30N2O2/c1-16-7-5-13-21(15-16)14-6-11-20-12-10-19(2)22-17-8-3-4-9-18(17)23-19/h3-4,8-9,16,20H,5-7,10-15H2,1-2H3
InChIKey
RDGJMLVKFIHSBS-UHFFFAOYSA-N
Compound name
N-[2-(2-methyl-1,3-benzodioxol-2-yl)ethyl]-3-(3-methylpiperidin-1-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

318.23074 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.238016 179.1
[M+Na]+ 341.219958 182.8
[M-H]- 317.223464 184.9
[M+NH4]+ 336.264563 193.7
[M+K]+ 357.193898 180.9
[M+H-H2O]+ 301.228000 170.7
[M+HCOO]- 363.228941 194.7
[M+CH3COO]- 377.244591 209.4
[M+Na-2H]- 339.205406 182.2
[M]+ 318.23019142 178.6
[M]- 318.23128858 178.6
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