CID 140669984

4-hydroxy-1lambda6,2-thiazinane-1,1-dione

Structural Information

Molecular Formula
C4H9NO3S
SMILES
C1CS(=O)(=O)NCC1O
InChI
InChI=1S/C4H9NO3S/c6-4-1-2-9(7,8)5-3-4/h4-6H,1-3H2
InChIKey
KXSDBPWWUAVAMH-UHFFFAOYSA-N
Compound name
1,1-dioxothiazinan-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

151.03032 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.037596 126.4
[M+Na]+ 174.019538 134.1
[M-H]- 150.023044 126.0
[M+NH4]+ 169.064143 147.2
[M+K]+ 189.993478 131.8
[M+H-H2O]+ 134.027580 122.2
[M+HCOO]- 196.028521 139.6
[M+CH3COO]- 210.044171 163.9
[M+Na-2H]- 172.004986 130.8
[M]+ 151.02977142 122.9
[M]- 151.03086858 122.9
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

patents stripe