CID 3040913

Crl 40040

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 167.8
[M+Na]+ 301.15228 179.4
[M+NH4]+ 296.19688 174.9
[M+K]+ 317.12622 173.4
[M-H]- 277.15578 172.6
[M+Na-2H]- 299.13773 170.9
[M]+ 278.16251 170.6
[M]- 278.16361 170.6
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.