CID 138039822

2241127-90-0

Structural Information

Molecular Formula
C6H9NO4S2
SMILES
CS(=O)(=O)O[C@@H]1COC[C@H]1N=C=S
InChI
InChI=1S/C6H9NO4S2/c1-13(8,9)11-6-3-10-2-5(6)7-4-12/h5-6H,2-3H2,1H3/t5-,6-/m1/s1
InChIKey
SDVZYNBYSGXYTH-PHDIDXHHSA-N
Compound name
[(3S,4R)-4-isothiocyanatooxolan-3-yl] methanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.9973 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.00458 149.6
[M+Na]+ 245.98652 156.6
[M+NH4]+ 241.03112 156.3
[M+K]+ 261.96046 151.2
[M-H]- 221.99002 150.4
[M+Na-2H]- 243.97197 150.4
[M]+ 222.99675 151.4
[M]- 222.99785 151.4
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

No patent data available for this compound.