CID 3054043

Brn 0533156

Structural Information

Molecular Formula
C11H13NO4S
SMILES
C1COCCN1C(=S)C2=CC(=C(C(=C2)O)O)O
InChI
InChI=1S/C11H13NO4S/c13-8-5-7(6-9(14)10(8)15)11(17)12-1-3-16-4-2-12/h5-6,13-15H,1-4H2
InChIKey
LGPPEGGPABKRKU-UHFFFAOYSA-N
Compound name
morpholin-4-yl-(3,4,5-trihydroxyphenyl)methanethione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.05653 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.06381 154.4
[M+Na]+ 278.04575 160.6
[M-H]- 254.04925 156.4
[M+NH4]+ 273.09035 167.2
[M+K]+ 294.01969 157.4
[M+H-H2O]+ 238.05379 147.9
[M+HCOO]- 300.05473 163.8
[M+CH3COO]- 314.07038 184.6
[M+Na-2H]- 276.03120 154.8
[M]+ 255.05598 151.6
[M]- 255.05708 151.6
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.