CID 3065833

1-ethyl-1-octylpiperazinium chloride

Structural Information

Molecular Formula
C14H31N2
SMILES
CCCCCCCC[N+]1(CCNCC1)CC
InChI
InChI=1S/C14H31N2/c1-3-5-6-7-8-9-12-16(4-2)13-10-15-11-14-16/h15H,3-14H2,1-2H3/q+1
InChIKey
SLZMGPVPOKCIBP-UHFFFAOYSA-N
Compound name
1-ethyl-1-octylpiperazin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.24872 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.25600 158.9
[M+Na]+ 250.23794 161.5
[M-H]- 226.24144 156.6
[M+NH4]+ 245.28254 175.5
[M+K]+ 266.21188 152.8
[M+H-H2O]+ 210.24598 154.3
[M+HCOO]- 272.24692 173.0
[M+CH3COO]- 286.26257 183.4
[M+Na-2H]- 248.22339 164.4
[M]+ 227.24817 154.1
[M]- 227.24927 154.1
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

No patent data available for this compound.