CID 2941

Tricyclo-decan-9-yl-xanthogenate (racemate)

Structural Information

Molecular Formula
C11H16OS2
SMILES
C1CC2C(C1)C3CC2CC3OC(=S)S
InChI
InChI=1S/C11H16OS2/c13-11(14)12-10-5-6-4-9(10)8-3-1-2-7(6)8/h6-10H,1-5H2,(H,13,14)
InChIKey
PWLXJBSAUKKGCM-UHFFFAOYSA-N
Compound name
8-tricyclo[5.2.1.02,6]decanyloxymethanedithioic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

284
References

139
Patents

228.06425 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.07153 155.9
[M+Na]+ 251.05347 164.6
[M-H]- 227.05697 159.9
[M+NH4]+ 246.09807 183.2
[M+K]+ 267.02741 162.4
[M+H-H2O]+ 211.06151 154.6
[M+HCOO]- 273.06245 165.1
[M+CH3COO]- 287.07810 168.3
[M+Na-2H]- 249.03892 152.2
[M]+ 228.06370 158.7
[M]- 228.06480 158.7
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.