CID 3048215

Usaf ui-1

Structural Information

Molecular Formula
C11H21NO3S2
SMILES
C1CCC(CC1)(CSS(=O)(=O)O)N2CCCC2
InChI
InChI=1S/C11H21NO3S2/c13-17(14,15)16-10-11(6-2-1-3-7-11)12-8-4-5-9-12/h1-10H2,(H,13,14,15)
InChIKey
XPZHBPJWBYXBDG-UHFFFAOYSA-N
Compound name
1-[1-(sulfosulfanylmethyl)cyclohexyl]pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.09628 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.10356 161.4
[M+Na]+ 302.08550 167.5
[M+NH4]+ 297.13010 170.0
[M+K]+ 318.05944 159.5
[M-H]- 278.08900 161.8
[M+Na-2H]- 300.07095 165.1
[M]+ 279.09573 163.1
[M]- 279.09683 163.1
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.