CID 200885

1-(2-(1,4-benzodioxan-5-yloxy)ethyl)pyrrolidine hydrochloride

Structural Information

Molecular Formula
C14H19NO3
SMILES
C1CCN(C1)CCOC2=CC=CC3=C2OCCO3
InChI
InChI=1S/C14H19NO3/c1-2-7-15(6-1)8-9-16-12-4-3-5-13-14(12)18-11-10-17-13/h3-5H,1-2,6-11H2
InChIKey
OAGOOJGUDWVQKT-UHFFFAOYSA-N
Compound name
1-[2-(2,3-dihydro-1,4-benzodioxin-5-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 155.3
[M+Na]+ 272.12571 160.1
[M-H]- 248.12921 161.4
[M+NH4]+ 267.17031 170.7
[M+K]+ 288.09965 159.8
[M+H-H2O]+ 232.13375 147.6
[M+HCOO]- 294.13469 171.9
[M+CH3COO]- 308.15034 166.6
[M+Na-2H]- 270.11116 160.3
[M]+ 249.13594 154.5
[M]- 249.13704 154.5
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.