CID 202739

Piperidine, 1-(2-((6-allyl-1,4-benzodioxan-5-yl)oxy)ethyl)-, hydrochloride

Structural Information

Molecular Formula
C18H25NO3
SMILES
C=CCC1=C(C2=C(C=C1)OCCO2)OCCN3CCCCC3
InChI
InChI=1S/C18H25NO3/c1-2-6-15-7-8-16-18(22-14-13-20-16)17(15)21-12-11-19-9-4-3-5-10-19/h2,7-8H,1,3-6,9-14H2
InChIKey
SQFRUCPVKCDJBV-UHFFFAOYSA-N
Compound name
1-[2-[(6-prop-2-enyl-2,3-dihydro-1,4-benzodioxin-5-yl)oxy]ethyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.18344 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.190716 173.6
[M+Na]+ 326.172658 176.8
[M-H]- 302.176164 178.9
[M+NH4]+ 321.217263 184.8
[M+K]+ 342.146598 175.1
[M+H-H2O]+ 286.180700 164.0
[M+HCOO]- 348.181641 186.6
[M+CH3COO]- 362.197291 204.0
[M+Na-2H]- 324.158106 177.3
[M]+ 303.18289142 171.5
[M]- 303.18398858 171.5
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.