CID 38196

38968-25-1

Structural Information

Molecular Formula
C18H42N2
SMILES
C[N+](C)(C)CCCCCCCCCCCC[N+](C)(C)C
InChI
InChI=1S/C18H42N2/c1-19(2,3)17-15-13-11-9-7-8-10-12-14-16-18-20(4,5)6/h7-18H2,1-6H3/q+2
InChIKey
PUOAFIKQSLOKQZ-UHFFFAOYSA-N
Compound name
trimethyl-[12-(trimethylazaniumyl)dodecyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

55
Patents

286.3348 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.342076 173.9
[M+Na]+ 309.324018 176.4
[M-H]- 285.327524 175.9
[M+NH4]+ 304.368623 190.9
[M+K]+ 325.297958 164.6
[M+H-H2O]+ 269.332060 173.4
[M+HCOO]- 331.333001 194.7
[M+CH3COO]- 345.348651 207.4
[M+Na-2H]- 307.309466 182.7
[M]+ 286.33425142 177.5
[M]- 286.33534858 177.5
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