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

40
Patents

234.13683 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.144106 153.6
[M+Na]+ 257.126048 157.6
[M-H]- 233.129554 156.6
[M+NH4]+ 252.170653 165.5
[M+K]+ 273.099988 155.9
[M+H-H2O]+ 217.134090 144.2
[M+HCOO]- 279.135031 165.2
[M+CH3COO]- 293.150681 163.1
[M+Na-2H]- 255.111496 160.1
[M]+ 234.13628142 147.4
[M]- 234.13737858 147.4
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