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
1
Annotation Hits

0
References

319
Patents

234.1112 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.11848 153.2
[M+Na]+ 257.10042 158.2
[M-H]- 233.10392 152.5
[M+NH4]+ 252.14502 171.8
[M+K]+ 273.07436 154.3
[M+H-H2O]+ 217.10846 147.1
[M+HCOO]- 279.10940 163.3
[M+CH3COO]- 293.12505 192.1
[M+Na-2H]- 255.08587 150.7
[M]+ 234.11065 158.9
[M]- 234.11175 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