CID 48029

2-methyldiethylammoniumethylthiole iodide

Structural Information

Molecular Formula
C7H18NS
SMILES
CC[N+](C)(CC)CCS
InChI
InChI=1S/C7H17NS/c1-4-8(3,5-2)6-7-9/h4-7H2,1-3H3/p+1
InChIKey
CGFBIDHAWXITLX-UHFFFAOYSA-O
Compound name
diethyl-methyl-(2-sulfanylethyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

148.116 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.12328 128.0
[M+Na]+ 171.10522 134.9
[M-H]- 147.10872 130.3
[M+NH4]+ 166.14982 150.7
[M+K]+ 187.07916 129.1
[M+H-H2O]+ 131.11326 126.1
[M+HCOO]- 193.11420 146.6
[M+CH3COO]- 207.12985 175.7
[M+Na-2H]- 169.09067 134.9
[M]+ 148.11545 130.4
[M]- 148.11655 130.4
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

patents stripe