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 163.7
[M+Na]+ 302.08550 168.0
[M-H]- 278.08900 165.7
[M+NH4]+ 297.13010 181.4
[M+K]+ 318.05944 164.5
[M+H-H2O]+ 262.09354 158.7
[M+HCOO]- 324.09448 169.1
[M+CH3COO]- 338.11013 187.8
[M+Na-2H]- 300.07095 163.6
[M]+ 279.09573 160.6
[M]- 279.09683 160.6
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.