CID 3040913

53073-95-3

Structural Information

Molecular Formula
C15H22N2O3
SMILES
C1CN(CC(N1)CCO)CC2COC3=CC=CC=C3O2
InChI
InChI=1S/C15H22N2O3/c18-8-5-12-9-17(7-6-16-12)10-13-11-19-14-3-1-2-4-15(14)20-13/h1-4,12-13,16,18H,5-11H2
InChIKey
JIJLYKDRTLVJNJ-UHFFFAOYSA-N
Compound name
2-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperazin-2-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

278.16306 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.17034 166.6
[M+Na]+ 301.15228 170.1
[M-H]- 277.15578 168.3
[M+NH4]+ 296.19688 176.2
[M+K]+ 317.12622 167.6
[M+H-H2O]+ 261.16032 157.1
[M+HCOO]- 323.16126 176.1
[M+CH3COO]- 337.17691 174.7
[M+Na-2H]- 299.13773 170.9
[M]+ 278.16251 161.2
[M]- 278.16361 161.2
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.