CID 3080516

128487-70-7

Structural Information

Molecular Formula
C12H20N2O4S2
SMILES
C1C2CC3CC(C2)(CC1C3N=C(CSS(=O)(=O)O)N)O
InChI
InChI=1S/C12H20N2O4S2/c13-10(6-19-20(16,17)18)14-11-8-1-7-2-9(11)5-12(15,3-7)4-8/h7-9,11,15H,1-6H2,(H2,13,14)(H,16,17,18)
InChIKey
IRRUJPDHVDOVFM-UHFFFAOYSA-N
Compound name
4-[(1-amino-2-sulfosulfanylethylidene)amino]-1-hydroxyadamantane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.08646 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.09374 165.8
[M+Na]+ 343.07568 165.7
[M-H]- 319.07918 156.3
[M+NH4]+ 338.12028 185.3
[M+K]+ 359.04962 163.8
[M+H-H2O]+ 303.08372 163.3
[M+HCOO]- 365.08466 161.2
[M+CH3COO]- 379.10031 210.6
[M+Na-2H]- 341.06113 178.4
[M]+ 320.08591 169.4
[M]- 320.08701 169.4
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.