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

3
Patents

262.16812 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.175396 161.8
[M+Na]+ 285.157338 168.3
[M-H]- 261.160844 167.0
[M+NH4]+ 280.201943 177.7
[M+K]+ 301.131278 167.3
[M+H-H2O]+ 245.165380 153.5
[M+HCOO]- 307.166321 176.5
[M+CH3COO]- 321.181971 172.8
[M+Na-2H]- 283.142786 166.1
[M]+ 262.16757142 161.1
[M]- 262.16866858 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