CID 139595333

Carboxin m9

Structural Information

Molecular Formula
C12H15NO4S
SMILES
CC1(C(S(=O)CCO1)C(=O)NC2=CC=CC=C2)O
InChI
InChI=1S/C12H15NO4S/c1-12(15)10(18(16)8-7-17-12)11(14)13-9-5-3-2-4-6-9/h2-6,10,15H,7-8H2,1H3,(H,13,14)
InChIKey
HWGDMMMKQAMZJJ-UHFFFAOYSA-N
Compound name
2-hydroxy-2-methyl-4-oxo-N-phenyl-1,4-oxathiane-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

269.07217 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.07945 157.2
[M+Na]+ 292.06139 167.3
[M+NH4]+ 287.10599 165.7
[M+K]+ 308.03533 159.2
[M-H]- 268.06489 161.2
[M+Na-2H]- 290.04684 163.7
[M]+ 269.07162 160.1
[M]- 269.07272 160.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.