CID 210316

21220-90-6

Structural Information

Molecular Formula
C10H23NO3S2
SMILES
CCC(CC)(CC)CNCCSS(=O)(=O)O
InChI
InChI=1S/C10H23NO3S2/c1-4-10(5-2,6-3)9-11-7-8-15-16(12,13)14/h11H,4-9H2,1-3H3,(H,12,13,14)
InChIKey
RQZMEDODERLGAL-UHFFFAOYSA-N
Compound name
3-ethyl-3-[(2-sulfosulfanylethylamino)methyl]pentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.11194 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.11922 162.3
[M+Na]+ 292.10116 166.6
[M-H]- 268.10466 159.8
[M+NH4]+ 287.14576 177.9
[M+K]+ 308.07510 162.2
[M+H-H2O]+ 252.10920 156.3
[M+HCOO]- 314.11014 170.7
[M+CH3COO]- 328.12579 194.9
[M+Na-2H]- 290.08661 163.4
[M]+ 269.11139 166.4
[M]- 269.11249 166.4
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.