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

181
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

literature stripe

Patent stripe

patents stripe