CID 3066846

1-butyl-1-decylpiperazinium chloride

Structural Information

Molecular Formula
C18H39N2
SMILES
CCCCCCCCCC[N+]1(CCNCC1)CCCC
InChI
InChI=1S/C18H39N2/c1-3-5-7-8-9-10-11-12-16-20(15-6-4-2)17-13-19-14-18-20/h19H,3-18H2,1-2H3/q+1
InChIKey
DMTZKDLSFPCWIS-UHFFFAOYSA-N
Compound name
1-butyl-1-decylpiperazin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.3113 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.31858 176.5
[M+Na]+ 306.30052 177.3
[M-H]- 282.30402 173.4
[M+NH4]+ 301.34512 190.7
[M+K]+ 322.27446 167.6
[M+H-H2O]+ 266.30856 171.0
[M+HCOO]- 328.30950 189.1
[M+CH3COO]- 342.32515 195.5
[M+Na-2H]- 304.28597 179.9
[M]+ 283.31075 173.1
[M]- 283.31185 173.1
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.