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-butylpyridin-2-yl)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]+ 220.18083 155.8
[M+Na]+ 242.16277 160.8
[M-H]- 218.16627 156.0
[M+NH4]+ 237.20737 169.2
[M+K]+ 258.13671 156.7
[M+H-H2O]+ 202.17081 146.8
[M+HCOO]- 264.17175 169.0
[M+CH3COO]- 278.18740 186.5
[M+Na-2H]- 240.14822 160.7
[M]+ 219.17300 149.6
[M]- 219.17410 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