CID 217428

Brn 2984157

Structural Information

Molecular Formula
C14H29NO3S2
SMILES
CCC(CN(CC)CCSS(=O)(=O)O)C1CCCCC1
InChI
InChI=1S/C14H29NO3S2/c1-3-13(14-8-6-5-7-9-14)12-15(4-2)10-11-19-20(16,17)18/h13-14H,3-12H2,1-2H3,(H,16,17,18)
InChIKey
RGUGEMMPDGOYNQ-UHFFFAOYSA-N
Compound name
1-[ethyl(2-sulfosulfanylethyl)amino]butan-2-ylcyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.15887 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.16615 175.2
[M+Na]+ 346.14809 176.1
[M-H]- 322.15159 175.9
[M+NH4]+ 341.19269 188.9
[M+K]+ 362.12203 172.6
[M+H-H2O]+ 306.15613 168.2
[M+HCOO]- 368.15707 181.0
[M+CH3COO]- 382.17272 206.9
[M+Na-2H]- 344.13354 172.8
[M]+ 323.15832 175.9
[M]- 323.15942 175.9
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.