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 146.0
[M+Na]+ 245.98652 154.3
[M-H]- 221.99002 151.5
[M+NH4]+ 241.03112 165.6
[M+K]+ 261.96046 152.9
[M+H-H2O]+ 205.99456 141.1
[M+HCOO]- 267.99550 160.1
[M+CH3COO]- 282.01115 184.8
[M+Na-2H]- 243.97197 148.3
[M]+ 222.99675 149.9
[M]- 222.99785 149.9
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.