CID 77356

3752-51-0

Structural Information

Molecular Formula
C12H27NO3S2
SMILES
CCCCCCCCCCNCCSS(=O)(=O)O
InChI
InChI=1S/C12H27NO3S2/c1-2-3-4-5-6-7-8-9-10-13-11-12-17-18(14,15)16/h13H,2-12H2,1H3,(H,14,15,16)
InChIKey
BWZPDRUAQQXBIL-UHFFFAOYSA-N
Compound name
1-(2-sulfosulfanylethylamino)decane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.14325 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.15053 168.7
[M+Na]+ 320.13247 172.0
[M-H]- 296.13597 165.7
[M+NH4]+ 315.17707 183.3
[M+K]+ 336.10641 166.6
[M+H-H2O]+ 280.14051 161.9
[M+HCOO]- 342.14145 178.0
[M+CH3COO]- 356.15710 200.4
[M+Na-2H]- 318.11792 168.1
[M]+ 297.14270 174.1
[M]- 297.14380 174.1
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.