CID 24837933

Brn 1993901

Structural Information

Molecular Formula
C14H29NO4S2
SMILES
CC1CCCCC1OCCCCCNCCSS(=O)(=O)O
InChI
InChI=1S/C14H29NO4S2/c1-13-7-3-4-8-14(13)19-11-6-2-5-9-15-10-12-20-21(16,17)18/h13-15H,2-12H2,1H3,(H,16,17,18)
InChIKey
SMDHIJKWGDQNJD-UHFFFAOYSA-N
Compound name
1-methyl-2-[5-(2-sulfosulfanylethylamino)pentoxy]cyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.1538 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.16108 177.0
[M+Na]+ 362.14302 178.6
[M-H]- 338.14652 176.4
[M+NH4]+ 357.18762 189.6
[M+K]+ 378.11696 173.6
[M+H-H2O]+ 322.15106 170.1
[M+HCOO]- 384.15200 183.7
[M+CH3COO]- 398.16765 206.1
[M+Na-2H]- 360.12847 176.1
[M]+ 339.15325 178.8
[M]- 339.15435 178.8
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.