CID 64342

40283-73-6

Structural Information

Molecular Formula
C14H24N2O3S2
SMILES
C1C2CC3CC1CC(C2)(C3)CCN=C(CSS(=O)(=O)O)N
InChI
InChI=1S/C14H24N2O3S2/c15-13(9-20-21(17,18)19)16-2-1-14-6-10-3-11(7-14)5-12(4-10)8-14/h10-12H,1-9H2,(H2,15,16)(H,17,18,19)
InChIKey
WSKDAHGQWHFGFH-UHFFFAOYSA-N
Compound name
1-[2-[(1-amino-2-sulfosulfanylethylidene)amino]ethyl]adamantane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.12283 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.13011 171.1
[M+Na]+ 355.11205 170.1
[M-H]- 331.11555 162.4
[M+NH4]+ 350.15665 190.7
[M+K]+ 371.08599 167.9
[M+H-H2O]+ 315.12009 167.6
[M+HCOO]- 377.12103 167.2
[M+CH3COO]- 391.13668 214.9
[M+Na-2H]- 353.09750 182.9
[M]+ 332.12228 175.0
[M]- 332.12338 175.0
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.