CID 2968

Decamethonium

Structural Information

Molecular Formula
C16H38N2
SMILES
C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C
InChI
InChI=1S/C16H38N2/c1-17(2,3)15-13-11-9-7-8-10-12-14-16-18(4,5)6/h7-16H2,1-6H3/q+2
InChIKey
MTCUAOILFDZKCO-UHFFFAOYSA-N
Compound name
trimethyl-[10-(trimethylazaniumyl)decyl]azanium
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

321
References

3528
Patents

258.3035 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.310776 164.5
[M+Na]+ 281.292718 167.8
[M-H]- 257.296224 166.9
[M+NH4]+ 276.337323 182.6
[M+K]+ 297.266658 156.5
[M+H-H2O]+ 241.300760 164.4
[M+HCOO]- 303.301701 185.9
[M+CH3COO]- 317.317351 201.4
[M+Na-2H]- 279.278166 174.3
[M]+ 258.30295142 167.4
[M]- 258.30404858 167.4
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