CID 55279073

1427388-39-3

Structural Information

Molecular Formula
C5H9NO2S
SMILES
C1C2(CN1)CS(=O)(=O)C2
InChI
InChI=1S/C5H9NO2S/c7-9(8)3-5(4-9)1-6-2-5/h6H,1-4H2
InChIKey
LXBXLDOZHMVJNC-UHFFFAOYSA-N
Compound name
2lambda6-thia-6-azaspiro[3.3]heptane 2,2-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

266
Patents

147.0354 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.04268 117.2
[M+Na]+ 170.02462 122.0
[M-H]- 146.02812 120.1
[M+NH4]+ 165.06922 127.0
[M+K]+ 185.99856 125.7
[M+H-H2O]+ 130.03266 104.5
[M+HCOO]- 192.03360 129.8
[M+CH3COO]- 206.04925 180.5
[M+Na-2H]- 168.01007 123.1
[M]+ 147.03485 132.3
[M]- 147.03595 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