CID 202383

1-(2-(1,4-benzodioxan-6-yloxy)ethyl)piperidine hydrochloride

Structural Information

Molecular Formula
C15H21NO3
SMILES
C1CCN(CC1)CCOC2=CC3=C(C=C2)OCCO3
InChI
InChI=1S/C15H21NO3/c1-2-6-16(7-3-1)8-9-17-13-4-5-14-15(12-13)19-11-10-18-14/h4-5,12H,1-3,6-11H2
InChIKey
MVCZLAAPBKMRJI-UHFFFAOYSA-N
Compound name
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)ethyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.15213 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.159406 160.2
[M+Na]+ 286.141348 163.5
[M-H]- 262.144854 165.7
[M+NH4]+ 281.185953 172.9
[M+K]+ 302.115288 163.1
[M+H-H2O]+ 246.149390 151.0
[M+HCOO]- 308.150331 174.1
[M+CH3COO]- 322.165981 170.2
[M+Na-2H]- 284.126796 166.3
[M]+ 263.15158142 157.4
[M]- 263.15267858 157.4
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