CID 3038065

Brn 0161427

Structural Information

Molecular Formula
C7H8N2O2S
SMILES
C1CC2(C1)C(=O)NC(=S)NC2=O
InChI
InChI=1S/C7H8N2O2S/c10-4-7(2-1-3-7)5(11)9-6(12)8-4/h1-3H2,(H2,8,9,10,11,12)
InChIKey
QILCOTRQZPMYNE-UHFFFAOYSA-N
Compound name
7-sulfanylidene-6,8-diazaspiro[3.5]nonane-5,9-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.03065 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.03793 136.6
[M+Na]+ 207.01987 141.5
[M+NH4]+ 202.06447 140.9
[M+K]+ 222.99381 135.6
[M-H]- 183.02337 133.4
[M+Na-2H]- 205.00532 138.1
[M]+ 184.03010 135.4
[M]- 184.03120 135.4
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.