CID 206584

Benzamide, 5-hydroxy-2-(3-(methylthio)propoxy)-

Structural Information

Molecular Formula
C11H15NO3S
SMILES
CSCCCOC1=C(C=C(C=C1)O)C(=O)N
InChI
InChI=1S/C11H15NO3S/c1-16-6-2-5-15-10-4-3-8(13)7-9(10)11(12)14/h3-4,7,13H,2,5-6H2,1H3,(H2,12,14)
InChIKey
AQRMZIOFLVUBDO-UHFFFAOYSA-N
Compound name
5-hydroxy-2-(3-methylsulfanylpropoxy)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.07727 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.08455 152.5
[M+Na]+ 264.06649 159.2
[M-H]- 240.06999 154.3
[M+NH4]+ 259.11109 169.4
[M+K]+ 280.04043 155.7
[M+H-H2O]+ 224.07453 146.1
[M+HCOO]- 286.07547 169.6
[M+CH3COO]- 300.09112 191.2
[M+Na-2H]- 262.05194 152.9
[M]+ 241.07672 155.2
[M]- 241.07782 155.2
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.