CID 40358

4-methyl-1-(2-(2-methyl-1,3-benzodioxol-2-yl)ethyl)piperazine hydrochloride

Structural Information

Molecular Formula
C15H22N2O2
SMILES
CC1(OC2=CC=CC=C2O1)CCN3CCN(CC3)C
InChI
InChI=1S/C15H22N2O2/c1-15(7-8-17-11-9-16(2)10-12-17)18-13-5-3-4-6-14(13)19-15/h3-6H,7-12H2,1-2H3
InChIKey
MRKKHNQIVMBMRV-UHFFFAOYSA-N
Compound name
1-methyl-4-[2-(2-methyl-1,3-benzodioxol-2-yl)ethyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.16812 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.17540 161.8
[M+Na]+ 285.15734 168.3
[M-H]- 261.16084 167.0
[M+NH4]+ 280.20194 177.7
[M+K]+ 301.13128 167.3
[M+H-H2O]+ 245.16538 153.5
[M+HCOO]- 307.16632 176.5
[M+CH3COO]- 321.18197 172.8
[M+Na-2H]- 283.14279 166.1
[M]+ 262.16757 161.1
[M]- 262.16867 161.1
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

patents stripe