CID 210389

Brn 1992295

Structural Information

Molecular Formula
C14H29NO4S2
SMILES
CC1(CCCCC1)OCCCCCNCCSS(=O)(=O)O
InChI
InChI=1S/C14H29NO4S2/c1-14(8-4-2-5-9-14)19-12-7-3-6-10-15-11-13-20-21(16,17)18/h15H,2-13H2,1H3,(H,16,17,18)
InChIKey
DLPLZFSHIILHCJ-UHFFFAOYSA-N
Compound name
1-methyl-1-[5-(2-sulfosulfanylethylamino)pentoxy]cyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.1538 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.16108 176.3
[M+Na]+ 362.14302 177.7
[M-H]- 338.14652 175.3
[M+NH4]+ 357.18762 190.5
[M+K]+ 378.11696 173.2
[M+H-H2O]+ 322.15106 170.3
[M+HCOO]- 384.15200 182.9
[M+CH3COO]- 398.16765 204.5
[M+Na-2H]- 360.12847 177.8
[M]+ 339.15325 178.1
[M]- 339.15435 178.1
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.