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]+ 265.15468 160.9
[M+Na]+ 287.13662 166.1
[M-H]- 263.14012 164.5
[M+NH4]+ 282.18122 173.8
[M+K]+ 303.11056 164.8
[M+H-H2O]+ 247.14466 152.5
[M+HCOO]- 309.14560 174.6
[M+CH3COO]- 323.16125 171.0
[M+Na-2H]- 285.12207 164.4
[M]+ 264.14685 159.2
[M]- 264.14795 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.