CID 2735889

1-cyclooctylpiperazine

Structural Information

Molecular Formula
C12H24N2
SMILES
C1CCCC(CCC1)N2CCNCC2
InChI
InChI=1S/C12H24N2/c1-2-4-6-12(7-5-3-1)14-10-8-13-9-11-14/h12-13H,1-11H2
InChIKey
PXPPUXBOQHHYEJ-UHFFFAOYSA-N
Compound name
1-cyclooctylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

196.19395 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.201226 148.5
[M+Na]+ 219.183168 150.7
[M-H]- 195.186674 148.9
[M+NH4]+ 214.227773 155.4
[M+K]+ 235.157108 150.5
[M+H-H2O]+ 179.191210 143.7
[M+HCOO]- 241.192151 154.0
[M+CH3COO]- 255.207801 152.0
[M+Na-2H]- 217.168616 148.1
[M]+ 196.19340142 143.2
[M]- 196.19449858 143.2
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