CID 45099455

3-tert-butyl-1-methylpiperazine dihydrochloride

Structural Information

Molecular Formula
C9H20N2
SMILES
CC(C)(C)C1CN(CCN1)C
InChI
InChI=1S/C9H20N2/c1-9(2,3)8-7-11(4)6-5-10-8/h8,10H,5-7H2,1-4H3
InChIKey
JUYGOAGUPDFXFA-UHFFFAOYSA-N
Compound name
3-tert-butyl-1-methylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

156.16264 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.169916 140.1
[M+Na]+ 179.151858 145.6
[M-H]- 155.155364 138.9
[M+NH4]+ 174.196463 158.1
[M+K]+ 195.125798 143.7
[M+H-H2O]+ 139.159900 133.9
[M+HCOO]- 201.160841 154.6
[M+CH3COO]- 215.176491 176.0
[M+Na-2H]- 177.137306 144.7
[M]+ 156.16209142 134.7
[M]- 156.16318858 134.7
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