CID 480914

Dodecyldimethyl(octylthiomethyl)amine, chloride

Structural Information

Molecular Formula
C23H50NS
SMILES
CCCCCCCCCCCC[N+](C)(C)CSCCCCCCCC
InChI
InChI=1S/C23H50NS/c1-5-7-9-11-13-14-15-16-17-19-21-24(3,4)23-25-22-20-18-12-10-8-6-2/h5-23H2,1-4H3/q+1
InChIKey
TXBBIHMHFMSKIV-UHFFFAOYSA-N
Compound name
dodecyl-dimethyl-(octylsulfanylmethyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.3664 Da
Monoisotopic Mass

10.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.37368 199.7
[M+Na]+ 395.35562 199.8
[M-H]- 371.35912 198.8
[M+NH4]+ 390.40022 213.4
[M+K]+ 411.32956 189.8
[M+H-H2O]+ 355.36366 194.6
[M+HCOO]- 417.36460 213.1
[M+CH3COO]- 431.38025 223.7
[M+Na-2H]- 393.34107 198.7
[M]+ 372.36585 208.1
[M]- 372.36695 208.1
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.