CID 337519

5,11-dithia-1,7-diazatricyclo[7.3.0.0,3,7]dodecane-2,8-dione

Structural Information

Molecular Formula
C8H10N2O2S2
SMILES
C1C2C(=O)N3CSCC3C(=O)N2CS1
InChI
InChI=1S/C8H10N2O2S2/c11-7-5-1-13-3-9(5)8(12)6-2-14-4-10(6)7/h5-6H,1-4H2
InChIKey
IBBKEOUUWVDDIT-UHFFFAOYSA-N
Compound name
5,11-dithia-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.01837 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.02565 147.7
[M+Na]+ 253.00759 157.4
[M-H]- 229.01109 150.2
[M+NH4]+ 248.05219 169.9
[M+K]+ 268.98153 154.6
[M+H-H2O]+ 213.01563 144.1
[M+HCOO]- 275.01657 155.0
[M+CH3COO]- 289.03222 159.7
[M+Na-2H]- 250.99304 145.9
[M]+ 230.01782 147.7
[M]- 230.01892 147.7
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.