CID 137943957

5lambda6-thia-6-azaspiro[2.4]heptane-5,5-dione

Structural Information

Molecular Formula
C5H9NO2S
SMILES
C1CC12CNS(=O)(=O)C2
InChI
InChI=1S/C5H9NO2S/c7-9(8)4-5(1-2-5)3-6-9/h6H,1-4H2
InChIKey
CZPQVYXHNGVTFX-UHFFFAOYSA-N
Compound name
5lambda6-thia-6-azaspiro[2.4]heptane 5,5-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

147.0354 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.042676 128.7
[M+Na]+ 170.024618 139.7
[M-H]- 146.028124 133.1
[M+NH4]+ 165.069223 149.3
[M+K]+ 185.998558 137.8
[M+H-H2O]+ 130.032660 125.2
[M+HCOO]- 192.033601 144.6
[M+CH3COO]- 206.049251 168.7
[M+Na-2H]- 168.010066 134.2
[M]+ 147.03485142 130.4
[M]- 147.03594858 130.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe