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

3
Patents

278.16306 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.170336 166.6
[M+Na]+ 301.152278 170.1
[M-H]- 277.155784 168.3
[M+NH4]+ 296.196883 176.2
[M+K]+ 317.126218 167.6
[M+H-H2O]+ 261.160320 157.1
[M+HCOO]- 323.161261 176.1
[M+CH3COO]- 337.176911 174.7
[M+Na-2H]- 299.137726 170.9
[M]+ 278.16251142 161.2
[M]- 278.16360858 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.