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]+ 152.03760 126.4
[M+Na]+ 174.01954 134.1
[M-H]- 150.02304 126.0
[M+NH4]+ 169.06414 147.2
[M+K]+ 189.99348 131.8
[M+H-H2O]+ 134.02758 122.2
[M+HCOO]- 196.02852 139.6
[M+CH3COO]- 210.04417 163.9
[M+Na-2H]- 172.00499 130.8
[M]+ 151.02977 122.9
[M]- 151.03087 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

No patent data available for this compound.