CID 2772222

24373-66-8

Structural Information

Molecular Formula
C5H7NO3S
SMILES
C1CS(=O)(=O)CC1N=C=O
InChI
InChI=1S/C5H7NO3S/c7-4-6-5-1-2-10(8,9)3-5/h5H,1-3H2
InChIKey
URFQKKJWHVHXSO-UHFFFAOYSA-N
Compound name
3-isocyanatothiolane 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

161.01466 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.02194 133.1
[M+Na]+ 184.00388 141.7
[M+NH4]+ 179.04848 142.1
[M+K]+ 199.97782 134.8
[M-H]- 160.00738 133.6
[M+Na-2H]- 181.98933 137.9
[M]+ 161.01411 134.6
[M]- 161.01521 134.6
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