CID 54130995

Potassium o-isodecyl dithiocarbonate

Structural Information

Molecular Formula
C11H22OS2
SMILES
CC(C)CCCCCCCOC(=S)S
InChI
InChI=1S/C11H22OS2/c1-10(2)8-6-4-3-5-7-9-12-11(13)14/h10H,3-9H2,1-2H3,(H,13,14)
InChIKey
NUJBKJAKPCWWMR-UHFFFAOYSA-N
Compound name
8-methylnonoxymethanedithioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.1112 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.118476 153.6
[M+Na]+ 257.100418 158.3
[M-H]- 233.103924 153.0
[M+NH4]+ 252.145023 172.1
[M+K]+ 273.074358 154.9
[M+H-H2O]+ 217.108460 147.6
[M+HCOO]- 279.109401 162.6
[M+CH3COO]- 293.125051 192.9
[M+Na-2H]- 255.085866 150.2
[M]+ 234.11065142 158.8
[M]- 234.11174858 158.8
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.