CID 4962261

67869-88-9

Structural Information

Molecular Formula
C13H18N2O2
SMILES
C1CN(CCN1)CC2=CC3=C(C=C2)OCCO3
InChI
InChI=1S/C13H18N2O2/c1-2-12-13(17-8-7-16-12)9-11(1)10-15-5-3-14-4-6-15/h1-2,9,14H,3-8,10H2
InChIKey
PQDMWCAXHTUPRD-UHFFFAOYSA-N
Compound name
1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

29
Patents

234.13683 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.14411 155.3
[M+Na]+ 257.12605 168.1
[M+NH4]+ 252.17065 163.7
[M+K]+ 273.09999 161.5
[M-H]- 233.12955 161.2
[M+Na-2H]- 255.11150 160.4
[M]+ 234.13628 158.7
[M]- 234.13738 158.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe