CID 50676

Brn 0545636

Structural Information

Molecular Formula
C16H24N2O2
SMILES
CCN1CCN(CC1)C(C)C2COC3=CC=CC=C3O2
InChI
InChI=1S/C16H24N2O2/c1-3-17-8-10-18(11-9-17)13(2)16-12-19-14-6-4-5-7-15(14)20-16/h4-7,13,16H,3,8-12H2,1-2H3
InChIKey
WZDXBGFDEVNOSN-UHFFFAOYSA-N
Compound name
1-[1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-4-ethylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.18378 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.19106 168.2
[M+Na]+ 299.17300 171.9
[M-H]- 275.17650 172.5
[M+NH4]+ 294.21760 179.3
[M+K]+ 315.14694 170.9
[M+H-H2O]+ 259.18104 158.3
[M+HCOO]- 321.18198 179.2
[M+CH3COO]- 335.19763 177.3
[M+Na-2H]- 297.15845 171.5
[M]+ 276.18323 164.6
[M]- 276.18433 164.6
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.