CID 3043402

55436-33-4

Structural Information

Molecular Formula
C14H20N2O3
SMILES
C1CN(CCN1CCO)CC2=CC3=C(C=C2)OCO3
InChI
InChI=1S/C14H20N2O3/c17-8-7-15-3-5-16(6-4-15)10-12-1-2-13-14(9-12)19-11-18-13/h1-2,9,17H,3-8,10-11H2
InChIKey
WUTMFZVDSMWHSN-UHFFFAOYSA-N
Compound name
2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.1474 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.154676 160.9
[M+Na]+ 287.136618 166.1
[M-H]- 263.140124 164.5
[M+NH4]+ 282.181223 173.8
[M+K]+ 303.110558 164.8
[M+H-H2O]+ 247.144660 152.5
[M+HCOO]- 309.145601 174.6
[M+CH3COO]- 323.161251 171.0
[M+Na-2H]- 285.122066 164.4
[M]+ 264.14685142 159.2
[M]- 264.14794858 159.2
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.