CID 132372808

2172086-82-5

Structural Information

Molecular Formula
C5H9NO2S
SMILES
C1CC12CCNS2(=O)=O
InChI
InChI=1S/C5H9NO2S/c7-9(8)5(1-2-5)3-4-6-9/h6H,1-4H2
InChIKey
QVFDGKZVQNOJAF-UHFFFAOYSA-N
Compound name
4lambda6-thia-5-azaspiro[2.4]heptane 4,4-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

147.0354 Da
Monoisotopic Mass

-0.2
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

No literature data available for this compound.

Patent stripe

patents stripe