CID 480916

Dodecyldimethyl(propylthiomethyl)amine, chloride

Structural Information

Molecular Formula
C18H40NS
SMILES
CCCCCCCCCCCC[N+](C)(C)CSCCC
InChI
InChI=1S/C18H40NS/c1-5-7-8-9-10-11-12-13-14-15-16-19(3,4)18-20-17-6-2/h5-18H2,1-4H3/q+1
InChIKey
SJQVQOUGVWWVAE-UHFFFAOYSA-N
Compound name
dodecyl-dimethyl-(propylsulfanylmethyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.28815 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.29543 177.8
[M+Na]+ 325.27737 180.1
[M-H]- 301.28087 177.9
[M+NH4]+ 320.32197 194.3
[M+K]+ 341.25131 171.3
[M+H-H2O]+ 285.28541 173.7
[M+HCOO]- 347.28635 192.9
[M+CH3COO]- 361.30200 208.9
[M+Na-2H]- 323.26282 179.2
[M]+ 302.28760 184.3
[M]- 302.28870 184.3
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.