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

1
Patents

263.15213 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.15941 160.2
[M+Na]+ 286.14135 163.5
[M-H]- 262.14485 165.7
[M+NH4]+ 281.18595 172.9
[M+K]+ 302.11529 163.1
[M+H-H2O]+ 246.14939 151.0
[M+HCOO]- 308.15033 174.1
[M+CH3COO]- 322.16598 170.2
[M+Na-2H]- 284.12680 166.3
[M]+ 263.15158 157.4
[M]- 263.15268 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