CID 10442525

1-benzyl-2-methylpiperazine

Structural Information

Molecular Formula
C12H18N2
SMILES
CC1CNCCN1CC2=CC=CC=C2
InChI
InChI=1S/C12H18N2/c1-11-9-13-7-8-14(11)10-12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3
InChIKey
JGEODYUVEMNPPY-UHFFFAOYSA-N
Compound name
1-benzyl-2-methylpiperazine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

155
Patents

190.147 Da
Monoisotopic Mass

1.5
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

literature stripe

Patent stripe

patents stripe