CID 79212

1-(2-methylbenzyl)piperazine

Structural Information

Molecular Formula
C12H18N2
SMILES
CC1=CC=CC=C1CN2CCNCC2
InChI
InChI=1S/C12H18N2/c1-11-4-2-3-5-12(11)10-14-8-6-13-7-9-14/h2-5,13H,6-10H2,1H3
InChIKey
GRVNOUKHAZXMJK-UHFFFAOYSA-N
Compound name
1-[(2-methylphenyl)methyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

109
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 145.7
[M+Na]+ 213.13622 158.8
[M+NH4]+ 208.18082 154.6
[M+K]+ 229.11016 151.0
[M-H]- 189.13972 149.2
[M+Na-2H]- 211.12167 153.5
[M]+ 190.14645 148.5
[M]- 190.14755 148.5
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