CID 155819871

2649061-48-1

Structural Information

Molecular Formula
C6H7NO4S
SMILES
CC1=C(S(=O)(=O)CCO1)N=C=O
InChI
InChI=1S/C6H7NO4S/c1-5-6(7-4-8)12(9,10)3-2-11-5/h2-3H2,1H3
InChIKey
POXCXXJTGKMUPD-UHFFFAOYSA-N
Compound name
5-isocyanato-6-methyl-2,3-dihydro-1,4-oxathiine 4,4-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.00958 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.016856 130.7
[M+Na]+ 211.998798 140.4
[M-H]- 188.002304 137.1
[M+NH4]+ 207.043403 152.1
[M+K]+ 227.972738 140.3
[M+H-H2O]+ 172.006840 125.9
[M+HCOO]- 234.007781 151.3
[M+CH3COO]- 248.023431 180.4
[M+Na-2H]- 209.984246 137.5
[M]+ 189.00903142 134.5
[M]- 189.01012858 134.5
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.