CID 3080513

Brn 4267879

Structural Information

Molecular Formula
C14H24N2O4S2
SMILES
C1C2CC3(CC1CC(C2)(C3)O)CCN=C(CSS(=O)(=O)O)N
InChI
InChI=1S/C14H24N2O4S2/c15-12(8-21-22(18,19)20)16-2-1-13-4-10-3-11(5-13)7-14(17,6-10)9-13/h10-11,17H,1-9H2,(H2,15,16)(H,18,19,20)
InChIKey
SKNKECQOIDIDTG-UHFFFAOYSA-N
Compound name
1-[2-[(1-amino-2-sulfosulfanylethylidene)amino]ethyl]-3-hydroxyadamantane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

348.11774 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.12502 173.7
[M+Na]+ 371.10696 173.1
[M-H]- 347.11046 163.5
[M+NH4]+ 366.15156 193.7
[M+K]+ 387.08090 170.8
[M+H-H2O]+ 331.11500 170.8
[M+HCOO]- 393.11594 168.4
[M+CH3COO]- 407.13159 214.6
[M+Na-2H]- 369.09241 187.6
[M]+ 348.11719 178.1
[M]- 348.11829 178.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.