CID 74915

Diisoamyl disulfide

Structural Information

Molecular Formula
C10H22S2
SMILES
CC(C)CCSSCCC(C)C
InChI
InChI=1S/C10H22S2/c1-9(2)5-7-11-12-8-6-10(3)4/h9-10H,5-8H2,1-4H3
InChIKey
MPYGLNNTOXLWOB-UHFFFAOYSA-N
Compound name
3-methyl-1-(3-methylbutyldisulfanyl)butane
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

3
References

283
Patents

206.11629 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.12357 146.1
[M+Na]+ 229.10551 150.9
[M-H]- 205.10901 145.7
[M+NH4]+ 224.15011 165.8
[M+K]+ 245.07945 148.1
[M+H-H2O]+ 189.11355 140.4
[M+HCOO]- 251.11449 154.9
[M+CH3COO]- 265.13014 189.7
[M+Na-2H]- 227.09096 143.0
[M]+ 206.11574 150.3
[M]- 206.11684 150.3
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.