CID 69048931

Carboxin tp4

Structural Information

Molecular Formula
C6H9NO4S
SMILES
CC1=C(S(=O)(=O)CCO1)C(=O)N
InChI
InChI=1S/C6H9NO4S/c1-4-5(6(7)8)12(9,10)3-2-11-4/h2-3H2,1H3,(H2,7,8)
InChIKey
LYPCWEPENPCCLY-UHFFFAOYSA-N
Compound name
6-methyl-4,4-dioxo-2,3-dihydro-1,4-oxathiine-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

9
Patents

191.02522 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.03250 133.4
[M+Na]+ 214.01444 142.0
[M-H]- 190.01794 137.8
[M+NH4]+ 209.05904 153.6
[M+K]+ 229.98838 141.7
[M+H-H2O]+ 174.02248 128.9
[M+HCOO]- 236.02342 150.5
[M+CH3COO]- 250.03907 179.7
[M+Na-2H]- 211.99989 137.6
[M]+ 191.02467 134.5
[M]- 191.02577 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.