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

73
Patents

196.19395 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.20123 148.5
[M+Na]+ 219.18317 150.7
[M-H]- 195.18667 148.9
[M+NH4]+ 214.22777 155.4
[M+K]+ 235.15711 150.5
[M+H-H2O]+ 179.19121 143.7
[M+HCOO]- 241.19215 154.0
[M+CH3COO]- 255.20780 152.0
[M+Na-2H]- 217.16862 148.1
[M]+ 196.19340 143.2
[M]- 196.19450 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