CID 74719

1921-44-4

Structural Information

Molecular Formula
C11H25NO3S2
SMILES
CCCCCCCCCNCCSS(=O)(=O)O
InChI
InChI=1S/C11H25NO3S2/c1-2-3-4-5-6-7-8-9-12-10-11-16-17(13,14)15/h12H,2-11H2,1H3,(H,13,14,15)
InChIKey
RLZLGGSREJEDMI-UHFFFAOYSA-N
Compound name
1-(2-sulfosulfanylethylamino)nonane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.1276 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.13488 164.6
[M+Na]+ 306.11682 168.4
[M-H]- 282.12032 161.8
[M+NH4]+ 301.16142 179.8
[M+K]+ 322.09076 163.2
[M+H-H2O]+ 266.12486 158.1
[M+HCOO]- 328.12580 174.3
[M+CH3COO]- 342.14145 197.5
[M+Na-2H]- 304.10227 164.5
[M]+ 283.12705 169.7
[M]- 283.12815 169.7
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.