CID 480926

(decylthiomethyl)dimethyloctylamine, chloride

Structural Information

Molecular Formula
C21H46NS
SMILES
CCCCCCCCCCSC[N+](C)(C)CCCCCCCC
InChI
InChI=1S/C21H46NS/c1-5-7-9-11-13-14-16-18-20-23-21-22(3,4)19-17-15-12-10-8-6-2/h5-21H2,1-4H3/q+1
InChIKey
RPLHJTXWQHDQGU-UHFFFAOYSA-N
Compound name
decylsulfanylmethyl-dimethyl-octylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.33508 Da
Monoisotopic Mass

8.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.34236 191.0
[M+Na]+ 367.32430 192.0
[M-H]- 343.32780 190.5
[M+NH4]+ 362.36890 205.8
[M+K]+ 383.29824 182.4
[M+H-H2O]+ 327.33234 186.3
[M+HCOO]- 389.33328 205.1
[M+CH3COO]- 403.34893 217.8
[M+Na-2H]- 365.30975 191.0
[M]+ 344.33453 198.6
[M]- 344.33563 198.6
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.