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 133.9
[M+Na]+ 207.01987 139.8
[M-H]- 183.02337 133.6
[M+NH4]+ 202.06447 145.7
[M+K]+ 222.99381 138.7
[M+H-H2O]+ 167.02791 123.1
[M+HCOO]- 229.02885 143.1
[M+CH3COO]- 243.04450 176.1
[M+Na-2H]- 205.00532 136.1
[M]+ 184.03010 136.7
[M]- 184.03120 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.