CID 2723782

1-(3,4-dimethylphenyl)piperazine

Structural Information

Molecular Formula
C12H18N2
SMILES
CC1=C(C=C(C=C1)N2CCNCC2)C
InChI
InChI=1S/C12H18N2/c1-10-3-4-12(9-11(10)2)14-7-5-13-6-8-14/h3-4,9,13H,5-8H2,1-2H3
InChIKey
SFLNVAVCCYTHCQ-UHFFFAOYSA-N
Compound name
1-(3,4-dimethylphenyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

819
Patents

190.147 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.15428 145.3
[M+Na]+ 213.13622 151.2
[M-H]- 189.13972 147.2
[M+NH4]+ 208.18082 161.5
[M+K]+ 229.11016 147.2
[M+H-H2O]+ 173.14426 137.1
[M+HCOO]- 235.14520 161.8
[M+CH3COO]- 249.16085 156.3
[M+Na-2H]- 211.12167 149.5
[M]+ 190.14645 139.3
[M]- 190.14755 139.3
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