CID 3078156

Piperazine, 1-(6-(1,1-dimethylethyl)-2-pyridinyl)-, dihydrochloride

Structural Information

Molecular Formula
C13H21N3
SMILES
CC(C)(C)C1=NC(=CC=C1)N2CCNCC2
InChI
InChI=1S/C13H21N3/c1-13(2,3)11-5-4-6-12(15-11)16-9-7-14-8-10-16/h4-6,14H,7-10H2,1-3H3
InChIKey
MGIBIXZNOXABAN-UHFFFAOYSA-N
Compound name
1-(6-tert-butyl-2-pyridinyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

219.17355 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.180826 155.8
[M+Na]+ 242.162768 160.8
[M-H]- 218.166274 156.0
[M+NH4]+ 237.207373 169.2
[M+K]+ 258.136708 156.7
[M+H-H2O]+ 202.170810 146.8
[M+HCOO]- 264.171751 169.0
[M+CH3COO]- 278.187401 186.5
[M+Na-2H]- 240.148216 160.7
[M]+ 219.17300142 149.6
[M]- 219.17409858 149.6
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