CID 200891

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

Structural Information

Molecular Formula
C14H19NO3
SMILES
C1CCN(C1)CCOC2=CC3=C(C=C2)OCCO3
InChI
InChI=1S/C14H19NO3/c1-2-6-15(5-1)7-8-16-12-3-4-13-14(11-12)18-10-9-17-13/h3-4,11H,1-2,5-10H2
InChIKey
YVBXSJSZRIFCKR-UHFFFAOYSA-N
Compound name
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)ethyl]pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.13649 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.14377 156.9
[M+Na]+ 272.12571 168.7
[M+NH4]+ 267.17031 165.6
[M+K]+ 288.09965 164.2
[M-H]- 248.12921 162.8
[M+Na-2H]- 270.11116 161.4
[M]+ 249.13594 160.2
[M]- 249.13704 160.2
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.