CID 2052052

1-(2-methylpropyl)piperazine

Structural Information

Molecular Formula
C8H18N2
SMILES
CC(C)CN1CCNCC1
InChI
InChI=1S/C8H18N2/c1-8(2)7-10-5-3-9-4-6-10/h8-9H,3-7H2,1-2H3
InChIKey
HUUQNWZMQSLPMX-UHFFFAOYSA-N
Compound name
1-(2-methylpropyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1532
Patents

142.147 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.154276 135.5
[M+Na]+ 165.136218 139.6
[M-H]- 141.139724 133.8
[M+NH4]+ 160.180823 153.4
[M+K]+ 181.110158 138.1
[M+H-H2O]+ 125.144260 128.5
[M+HCOO]- 187.145201 150.9
[M+CH3COO]- 201.160851 173.0
[M+Na-2H]- 163.121666 139.5
[M]+ 142.14645142 129.2
[M]- 142.14754858 129.2
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