CID 23734

Potassium decylxanthate

Structural Information

Molecular Formula
C11H22OS2
SMILES
CCCCCCCCCCOC(=S)S
InChI
InChI=1S/C11H22OS2/c1-2-3-4-5-6-7-8-9-10-12-11(13)14/h2-10H2,1H3,(H,13,14)
InChIKey
QMPPYLFXRKUTOR-UHFFFAOYSA-N
Compound name
decoxymethanedithioic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

342
Patents

234.1112 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.118476 153.2
[M+Na]+ 257.100418 158.2
[M-H]- 233.103924 152.5
[M+NH4]+ 252.145023 171.8
[M+K]+ 273.074358 154.3
[M+H-H2O]+ 217.108460 147.1
[M+HCOO]- 279.109401 163.3
[M+CH3COO]- 293.125051 192.1
[M+Na-2H]- 255.085866 150.7
[M]+ 234.11065142 158.9
[M]- 234.11174858 158.9
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