CID 13225719

Brn 5492759

Structural Information

Molecular Formula
C12H26S2Se
SMILES
CC(C)CSCC[Se]CCSCC(C)C
InChI
InChI=1S/C12H26S2Se/c1-11(2)9-13-5-7-15-8-6-14-10-12(3)4/h11-12H,5-10H2,1-4H3
InChIKey
NSEQLGHOYFAIFW-UHFFFAOYSA-N
Compound name
2-methyl-1-[2-[2-(2-methylpropylsulfanyl)ethylselanyl]ethylsulfanyl]propane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.06412 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.07140 169.6
[M+Na]+ 337.05334 177.3
[M+NH4]+ 332.09794 177.8
[M+K]+ 353.02728 166.3
[M-H]- 313.05684 169.8
[M+Na-2H]- 335.03879 169.7
[M]+ 314.06357 171.6
[M]- 314.06467 171.6
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.