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 170.7
[M+Na]+ 337.05334 173.8
[M-H]- 313.05684 169.1
[M+NH4]+ 332.09794 188.0
[M+K]+ 353.02728 169.8
[M+H-H2O]+ 297.06138 163.7
[M+HCOO]- 359.06232 177.9
[M+CH3COO]- 373.07797 200.7
[M+Na-2H]- 335.03879 165.0
[M]+ 314.06357 175.9
[M]- 314.06467 175.9
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

No patent data available for this compound.