CID 2737099

1-octylpiperazine

Structural Information

Molecular Formula
C12H26N2
SMILES
CCCCCCCCN1CCNCC1
InChI
InChI=1S/C12H26N2/c1-2-3-4-5-6-7-10-14-11-8-13-9-12-14/h13H,2-12H2,1H3
InChIKey
RRZDZQLIIMBIDL-UHFFFAOYSA-N
Compound name
1-octylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

200
Patents

198.2096 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.21688 152.9
[M+Na]+ 221.19882 155.4
[M-H]- 197.20232 150.2
[M+NH4]+ 216.24342 168.5
[M+K]+ 237.17276 152.5
[M+H-H2O]+ 181.20686 144.8
[M+HCOO]- 243.20780 167.9
[M+CH3COO]- 257.22345 184.3
[M+Na-2H]- 219.18427 155.9
[M]+ 198.20905 148.7
[M]- 198.21015 148.7
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

No patent data available for this compound.