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]+ 148.04268 128.7
[M+Na]+ 170.02462 139.7
[M-H]- 146.02812 133.1
[M+NH4]+ 165.06922 149.3
[M+K]+ 185.99856 137.8
[M+H-H2O]+ 130.03266 125.2
[M+HCOO]- 192.03360 144.6
[M+CH3COO]- 206.04925 168.7
[M+Na-2H]- 168.01007 134.2
[M]+ 147.03485 130.4
[M]- 147.03595 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