CID 111590

Einecs 272-284-6

Structural Information

Molecular Formula
C13H23S3
SMILES
CC(C)(C)CC1=C(S[S+]=C1SC)C(C)(C)C
InChI
InChI=1S/C13H23S3/c1-12(2,3)8-9-10(13(4,5)6)15-16-11(9)14-7/h8H2,1-7H3/q+1
InChIKey
YNTAXPQEYPWASS-UHFFFAOYSA-N
Compound name
3-tert-butyl-4-(2,2-dimethylpropyl)-5-methylsulfanyldithiol-1-ium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

275.0962 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.10348 162.7
[M+Na]+ 298.08542 173.4
[M+NH4]+ 293.13002 172.9
[M+K]+ 314.05936 164.6
[M-H]- 274.08892 165.9
[M+Na-2H]- 296.07087 165.6
[M]+ 275.09565 167.1
[M]- 275.09675 167.1
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.