CID 18669065

2-benzyl-1-methylpiperazine

Structural Information

Molecular Formula
C12H18N2
SMILES
CN1CCNCC1CC2=CC=CC=C2
InChI
InChI=1S/C12H18N2/c1-14-8-7-13-10-12(14)9-11-5-3-2-4-6-11/h2-6,12-13H,7-10H2,1H3
InChIKey
BYCJMYBUFIKCPP-UHFFFAOYSA-N
Compound name
2-benzyl-1-methylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

190.147 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.15428 145.1
[M+Na]+ 213.13622 150.1
[M-H]- 189.13972 146.6
[M+NH4]+ 208.18082 161.0
[M+K]+ 229.11016 146.0
[M+H-H2O]+ 173.14426 136.7
[M+HCOO]- 235.14520 161.7
[M+CH3COO]- 249.16085 155.7
[M+Na-2H]- 211.12167 150.1
[M]+ 190.14645 138.7
[M]- 190.14755 138.7
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

patents stripe