CID 48839

67011-32-9

Structural Information

Molecular Formula
C15H22N2O2
SMILES
CC(C1COC2=CC=CC=C2O1)N3CCN(CC3)C
InChI
InChI=1S/C15H22N2O2/c1-12(17-9-7-16(2)8-10-17)15-11-18-13-5-3-4-6-14(13)19-15/h3-6,12,15H,7-11H2,1-2H3
InChIKey
CFTIMHDCUFRSCW-UHFFFAOYSA-N
Compound name
1-[1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-4-methylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.16812 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.17540 163.6
[M+Na]+ 285.15734 167.8
[M-H]- 261.16084 168.1
[M+NH4]+ 280.20194 175.3
[M+K]+ 301.13128 167.0
[M+H-H2O]+ 245.16538 153.9
[M+HCOO]- 307.16632 174.9
[M+CH3COO]- 321.18197 173.1
[M+Na-2H]- 283.14279 167.5
[M]+ 262.16757 159.7
[M]- 262.16867 159.7
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.