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]+ 185.037926 133.9
[M+Na]+ 207.019868 139.8
[M-H]- 183.023374 133.6
[M+NH4]+ 202.064473 145.7
[M+K]+ 222.993808 138.7
[M+H-H2O]+ 167.027910 123.1
[M+HCOO]- 229.028851 143.1
[M+CH3COO]- 243.044501 176.1
[M+Na-2H]- 205.005316 136.1
[M]+ 184.03010142 136.7
[M]- 184.03119858 136.7
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.