CID 64312

Brn 2859549

Structural Information

Molecular Formula
C12H21NO3S2
SMILES
C1C2CC3CC1CC(C2)C3NCCSS(=O)(=O)O
InChI
InChI=1S/C12H21NO3S2/c14-18(15,16)17-2-1-13-12-10-4-8-3-9(6-10)7-11(12)5-8/h8-13H,1-7H2,(H,14,15,16)
InChIKey
KQSCFSFNCZTFMB-UHFFFAOYSA-N
Compound name
2-(2-sulfosulfanylethylamino)adamantane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.09628 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.10356 155.0
[M+Na]+ 314.08550 160.6
[M+NH4]+ 309.13010 164.9
[M+K]+ 330.05944 151.9
[M-H]- 290.08900 151.4
[M+Na-2H]- 312.07095 150.5
[M]+ 291.09573 155.5
[M]- 291.09683 155.5
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.