CID 10057758

1-(3-methylbutyl)piperazine

Structural Information

Molecular Formula
C9H20N2
SMILES
CC(C)CCN1CCNCC1
InChI
InChI=1S/C9H20N2/c1-9(2)3-6-11-7-4-10-5-8-11/h9-10H,3-8H2,1-2H3
InChIKey
IOCDAGIYEHKJRS-UHFFFAOYSA-N
Compound name
1-(3-methylbutyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

388
Patents

156.16264 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.169916 140.0
[M+Na]+ 179.151858 143.7
[M-H]- 155.155364 138.1
[M+NH4]+ 174.196463 157.3
[M+K]+ 195.125798 141.9
[M+H-H2O]+ 139.159900 132.8
[M+HCOO]- 201.160841 155.0
[M+CH3COO]- 215.176491 176.0
[M+Na-2H]- 177.137306 143.4
[M]+ 156.16209142 134.1
[M]- 156.16318858 134.1
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