CID 3530572

1-tert-butylpiperazine

Structural Information

Molecular Formula
C8H18N2
SMILES
CC(C)(C)N1CCNCC1
InChI
InChI=1S/C8H18N2/c1-8(2,3)10-6-4-9-5-7-10/h9H,4-7H2,1-3H3
InChIKey
PVMNSAIKFPWDQG-UHFFFAOYSA-N
Compound name
1-tert-butylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4691
Patents

142.147 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.15428 135.9
[M+Na]+ 165.13622 140.8
[M-H]- 141.13972 134.5
[M+NH4]+ 160.18082 154.1
[M+K]+ 181.11016 139.2
[M+H-H2O]+ 125.14426 129.5
[M+HCOO]- 187.14520 150.7
[M+CH3COO]- 201.16085 171.8
[M+Na-2H]- 163.12167 141.7
[M]+ 142.14645 129.7
[M]- 142.14755 129.7
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