CID 64277

Wr 145040

Structural Information

Molecular Formula
C14H24N2O4S2
SMILES
C1C2CC3CC1CC(C2)(C3)OCCN=C(CSS(=O)(=O)O)N
InChI
InChI=1S/C14H24N2O4S2/c15-13(9-21-22(17,18)19)16-1-2-20-14-6-10-3-11(7-14)5-12(4-10)8-14/h10-12H,1-9H2,(H2,15,16)(H,17,18,19)
InChIKey
RJBKFTRMYQORAZ-UHFFFAOYSA-N
Compound name
1-[2-[(1-amino-2-sulfosulfanylethylidene)amino]ethoxy]adamantane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.11774 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.12502 173.2
[M+Na]+ 371.10696 171.9
[M-H]- 347.11046 164.4
[M+NH4]+ 366.15156 192.0
[M+K]+ 387.08090 170.3
[M+H-H2O]+ 331.11500 169.7
[M+HCOO]- 393.11594 169.5
[M+CH3COO]- 407.13159 217.0
[M+Na-2H]- 369.09241 185.8
[M]+ 348.11719 178.6
[M]- 348.11829 178.6
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.