CID 70538

1-(2,6-dimethylphenyl)piperazine

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

626
Patents

190.147 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.154276 145.3
[M+Na]+ 213.136218 151.2
[M-H]- 189.139724 147.2
[M+NH4]+ 208.180823 161.5
[M+K]+ 229.110158 147.2
[M+H-H2O]+ 173.144260 137.1
[M+HCOO]- 235.145201 161.8
[M+CH3COO]- 249.160851 156.3
[M+Na-2H]- 211.121666 149.5
[M]+ 190.14645142 139.3
[M]- 190.14754858 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

No literature data available for this compound.

Patent stripe

patents stripe