CID 2737385

1-(2,4,6-trimethylbenzyl)piperazine

Structural Information

Molecular Formula
C14H22N2
SMILES
CC1=CC(=C(C(=C1)C)CN2CCNCC2)C
InChI
InChI=1S/C14H22N2/c1-11-8-12(2)14(13(3)9-11)10-16-6-4-15-5-7-16/h8-9,15H,4-7,10H2,1-3H3
InChIKey
FOERNUXLFALRDN-UHFFFAOYSA-N
Compound name
1-[(2,4,6-trimethylphenyl)methyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

76
Patents

218.1783 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.18558 154.3
[M+Na]+ 241.16752 160.3
[M-H]- 217.17102 156.2
[M+NH4]+ 236.21212 169.7
[M+K]+ 257.14146 155.8
[M+H-H2O]+ 201.17556 145.9
[M+HCOO]- 263.17650 170.1
[M+CH3COO]- 277.19215 189.2
[M+Na-2H]- 239.15297 156.7
[M]+ 218.17775 149.4
[M]- 218.17885 149.4
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