CID 3066168

1-methyl-1-tetradecylpiperazinium chloride

Structural Information

Molecular Formula
C19H41N2
SMILES
CCCCCCCCCCCCCC[N+]1(CCNCC1)C
InChI
InChI=1S/C19H41N2/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-21(2)18-15-20-16-19-21/h20H,3-19H2,1-2H3/q+1
InChIKey
XRNFYLMPRVGPCX-UHFFFAOYSA-N
Compound name
1-methyl-1-tetradecylpiperazin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.32697 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.33425 180.8
[M+Na]+ 320.31619 181.2
[M-H]- 296.31969 177.5
[M+NH4]+ 315.36079 194.5
[M+K]+ 336.29013 171.2
[M+H-H2O]+ 280.32423 175.2
[M+HCOO]- 342.32517 193.1
[M+CH3COO]- 356.34082 198.5
[M+Na-2H]- 318.30164 183.7
[M]+ 297.32642 177.8
[M]- 297.32752 177.8
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.