CID 424322

1-butylpiperazine

Structural Information

Molecular Formula
C8H18N2
SMILES
CCCCN1CCNCC1
InChI
InChI=1S/C8H18N2/c1-2-3-6-10-7-4-9-5-8-10/h9H,2-8H2,1H3
InChIKey
YKSVXVKIYYQWBB-UHFFFAOYSA-N
Compound name
1-butylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3117
Patents

142.147 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.15428 135.2
[M+Na]+ 165.13622 139.5
[M-H]- 141.13972 133.3
[M+NH4]+ 160.18082 153.1
[M+K]+ 181.11016 137.6
[M+H-H2O]+ 125.14426 128.0
[M+HCOO]- 187.14520 151.6
[M+CH3COO]- 201.16085 172.2
[M+Na-2H]- 163.12167 140.4
[M]+ 142.14645 129.6
[M]- 142.14755 129.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe