CID 16728418

1-[3-[(2,2-dimethyl-3h-benzofuran-7-yl)oxy]propyl]piperidine

Structural Information

Molecular Formula
C18H27NO2
SMILES
CC1(CC2=C(O1)C(=CC=C2)OCCCN3CCCCC3)C
InChI
InChI=1S/C18H27NO2/c1-18(2)14-15-8-6-9-16(17(15)21-18)20-13-7-12-19-10-4-3-5-11-19/h6,8-9H,3-5,7,10-14H2,1-2H3
InChIKey
LSKWWIOMLXMQOJ-UHFFFAOYSA-N
Compound name
1-[3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]propyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

289.2042 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.21148 171.0
[M+Na]+ 312.19342 176.0
[M-H]- 288.19692 176.6
[M+NH4]+ 307.23802 188.5
[M+K]+ 328.16736 173.4
[M+H-H2O]+ 272.20146 163.0
[M+HCOO]- 334.20240 187.0
[M+CH3COO]- 348.21805 201.3
[M+Na-2H]- 310.17887 173.4
[M]+ 289.20365 170.2
[M]- 289.20475 170.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.