CID 20581438

1909336-43-1

Structural Information

Molecular Formula
C5H9NO2S
SMILES
C1C2CNC1CS2(=O)=O
InChI
InChI=1S/C5H9NO2S/c7-9(8)3-4-1-5(9)2-6-4/h4-6H,1-3H2
InChIKey
REPYGHXGZNDHNU-UHFFFAOYSA-N
Compound name
2lambda6-thia-5-azabicyclo[2.2.1]heptane 2,2-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

104
Patents

147.0354 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.04268 129.6
[M+Na]+ 170.02462 137.6
[M+NH4]+ 165.06922 139.8
[M+K]+ 185.99856 132.6
[M-H]- 146.02812 128.3
[M+Na-2H]- 168.01007 131.5
[M]+ 147.03485 130.6
[M]- 147.03595 130.6
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