CID 303919

Nsc194276

Structural Information

Molecular Formula
C10H18N2O3S2
SMILES
C1CC2CC1CC2CN=C(CSS(=O)(=O)O)N
InChI
InChI=1S/C10H18N2O3S2/c11-10(6-16-17(13,14)15)12-5-9-4-7-1-2-8(9)3-7/h7-9H,1-6H2,(H2,11,12)(H,13,14,15)
InChIKey
HAKZCKGHHUUXDJ-UHFFFAOYSA-N
Compound name
2-[[(1-amino-2-sulfosulfanylethylidene)amino]methyl]bicyclo[2.2.1]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.0759 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.08318 162.9
[M+Na]+ 301.06512 168.4
[M-H]- 277.06862 164.1
[M+NH4]+ 296.10972 183.6
[M+K]+ 317.03906 165.2
[M+H-H2O]+ 261.07316 159.2
[M+HCOO]- 323.07410 172.9
[M+CH3COO]- 337.08975 197.4
[M+Na-2H]- 299.05057 163.2
[M]+ 278.07535 164.1
[M]- 278.07645 164.1
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.