CID 48841

2-(1-piperidinoethyl)-1,4-benzodioxane

Structural Information

Molecular Formula
C15H21NO2
SMILES
CC(C1COC2=CC=CC=C2O1)N3CCCCC3
InChI
InChI=1S/C15H21NO2/c1-12(16-9-5-2-6-10-16)15-11-17-13-7-3-4-8-14(13)18-15/h3-4,7-8,12,15H,2,5-6,9-11H2,1H3
InChIKey
GHYUVXZVYJQCRZ-UHFFFAOYSA-N
Compound name
1-[1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.15723 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.16451 157.8
[M+Na]+ 270.14645 161.0
[M-H]- 246.14995 163.5
[M+NH4]+ 265.19105 171.2
[M+K]+ 286.12039 160.5
[M+H-H2O]+ 230.15449 149.0
[M+HCOO]- 292.15543 170.6
[M+CH3COO]- 306.17108 167.9
[M+Na-2H]- 268.13190 162.7
[M]+ 247.15668 153.0
[M]- 247.15778 153.0
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.