CID 480915

Dodecyl(dodecylthiomethyl)dimethylamine, chloride

Structural Information

Molecular Formula
C27H58NS
SMILES
CCCCCCCCCCCC[N+](C)(C)CSCCCCCCCCCCCC
InChI
InChI=1S/C27H58NS/c1-5-7-9-11-13-15-17-19-21-23-25-28(3,4)27-29-26-24-22-20-18-16-14-12-10-8-6-2/h5-27H2,1-4H3/q+1
InChIKey
FASLBGHKWYYLMO-UHFFFAOYSA-N
Compound name
dodecyl-(dodecylsulfanylmethyl)-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

428.429 Da
Monoisotopic Mass

12.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.43628 216.9
[M+Na]+ 451.41822 215.3
[M-H]- 427.42172 215.0
[M+NH4]+ 446.46282 245.6
[M+K]+ 467.39216 204.2
[M+H-H2O]+ 411.42626 210.9
[M+HCOO]- 473.42720 263.3
[M+CH3COO]- 487.44285 235.4
[M+Na-2H]- 449.40367 213.9
[M]+ 428.42845 226.7
[M]- 428.42955 226.7
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.