CID 121229927

2177258-03-4

Structural Information

Molecular Formula
C8H13NO4S
SMILES
COC(=O)C1CCS(=O)(=O)C12CNC2
InChI
InChI=1S/C8H13NO4S/c1-13-7(10)6-2-3-14(11,12)8(6)4-9-5-8/h6,9H,2-5H2,1H3
InChIKey
XVCMBPZNWVEJNS-UHFFFAOYSA-N
Compound name
methyl 5,5-dioxo-5lambda6-thia-2-azaspiro[3.4]octane-8-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.05653 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.06381 141.2
[M+Na]+ 242.04575 147.0
[M-H]- 218.04925 144.1
[M+NH4]+ 237.09035 157.1
[M+K]+ 258.01969 148.2
[M+H-H2O]+ 202.05379 132.7
[M+HCOO]- 264.05473 154.2
[M+CH3COO]- 278.07038 181.4
[M+Na-2H]- 240.03120 143.4
[M]+ 219.05598 150.1
[M]- 219.05708 150.1
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.