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

390
Patents

156.16264 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.16992 140.0
[M+Na]+ 179.15186 143.7
[M-H]- 155.15536 138.1
[M+NH4]+ 174.19646 157.3
[M+K]+ 195.12580 141.9
[M+H-H2O]+ 139.15990 132.8
[M+HCOO]- 201.16084 155.0
[M+CH3COO]- 215.17649 176.0
[M+Na-2H]- 177.13731 143.4
[M]+ 156.16209 134.1
[M]- 156.16319 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