CID 3066867

111562-07-3

Structural Information

Molecular Formula
C20H42N3O
SMILES
CCCCCCCCCCCC[N+]1(CCN(CC1)C(=O)N(C)C)C
InChI
InChI=1S/C20H42N3O/c1-5-6-7-8-9-10-11-12-13-14-17-23(4)18-15-22(16-19-23)20(24)21(2)3/h5-19H2,1-4H3/q+1
InChIKey
KWOORUFCYXLDKL-UHFFFAOYSA-N
Compound name
4-dodecyl-N,N,4-trimethylpiperazin-4-ium-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.3328 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.34008 189.4
[M+Na]+ 363.32202 190.2
[M-H]- 339.32552 189.3
[M+NH4]+ 358.36662 202.6
[M+K]+ 379.29596 182.5
[M+H-H2O]+ 323.33006 183.4
[M+HCOO]- 385.33100 203.9
[M+CH3COO]- 399.34665 213.5
[M+Na-2H]- 361.30747 190.4
[M]+ 340.33225 189.3
[M]- 340.33335 189.3
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.