CID 59882936

1896825-34-5

Structural Information

Molecular Formula
C4H9NO3S
SMILES
C1COCCS(=O)(=O)N1
InChI
InChI=1S/C4H9NO3S/c6-9(7)4-3-8-2-1-5-9/h5H,1-4H2
InChIKey
NXQCWJFIVXGEAD-UHFFFAOYSA-N
Compound name
1,4,5-oxathiazepane 4,4-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

151.03032 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.03760 126.6
[M+Na]+ 174.01954 134.5
[M+NH4]+ 169.06414 134.6
[M+K]+ 189.99348 128.9
[M-H]- 150.02304 127.3
[M+Na-2H]- 172.00499 131.3
[M]+ 151.02977 128.2
[M]- 151.03087 128.2
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