CID 119629

Brn 2369355

Structural Information

Molecular Formula
C11H25NO3S2
SMILES
CC(CCNCCSS(=O)(=O)O)CC(C)(C)C
InChI
InChI=1S/C11H25NO3S2/c1-10(9-11(2,3)4)5-6-12-7-8-16-17(13,14)15/h10,12H,5-9H2,1-4H3,(H,13,14,15)
InChIKey
JKHRRGNPYDEKGJ-UHFFFAOYSA-N
Compound name
3,5,5-trimethyl-1-(2-sulfosulfanylethylamino)hexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.1276 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.13488 166.3
[M+Na]+ 306.11682 170.0
[M-H]- 282.12032 163.8
[M+NH4]+ 301.16142 181.5
[M+K]+ 322.09076 165.9
[M+H-H2O]+ 266.12486 160.3
[M+HCOO]- 328.12580 173.4
[M+CH3COO]- 342.14145 198.0
[M+Na-2H]- 304.10227 166.2
[M]+ 283.12705 170.2
[M]- 283.12815 170.2
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.