CID 56962208

2225154-17-4

Structural Information

Molecular Formula
C5H9NO2S
SMILES
C1CNC12CS(=O)(=O)C2
InChI
InChI=1S/C5H9NO2S/c7-9(8)3-5(4-9)1-2-6-5/h6H,1-4H2
InChIKey
MOHSPTRYPOIDCV-UHFFFAOYSA-N
Compound name
6lambda6-thia-1-azaspiro[3.3]heptane 6,6-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

147.0354 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.042676 117.2
[M+Na]+ 170.024618 122.0
[M-H]- 146.028124 120.1
[M+NH4]+ 165.069223 127.0
[M+K]+ 185.998558 125.7
[M+H-H2O]+ 130.032660 104.5
[M+HCOO]- 192.033601 129.8
[M+CH3COO]- 206.049251 180.5
[M+Na-2H]- 168.010066 123.1
[M]+ 147.03485142 132.3
[M]- 147.03594858 132.3
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