CID 763557

1-benzyl-4-methylpiperazine hydrochloride

Structural Information

Molecular Formula
C12H18N2
SMILES
CN1CCN(CC1)CC2=CC=CC=C2
InChI
InChI=1S/C12H18N2/c1-13-7-9-14(10-8-13)11-12-5-3-2-4-6-12/h2-6H,7-11H2,1H3
InChIKey
MLJOKPBESJWYGL-UHFFFAOYSA-N
Compound name
1-benzyl-4-methylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

988
Patents

190.147 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.15428 145.3
[M+Na]+ 213.13622 158.9
[M+NH4]+ 208.18082 154.5
[M+K]+ 229.11016 150.8
[M-H]- 189.13972 149.3
[M+Na-2H]- 211.12167 153.7
[M]+ 190.14645 148.3
[M]- 190.14755 148.3
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