CID 212567

Brn 2648145

Structural Information

Molecular Formula
C10H13NO3S
SMILES
CSCCOC1=C(C=C(C=C1)O)C(=O)N
InChI
InChI=1S/C10H13NO3S/c1-15-5-4-14-9-3-2-7(12)6-8(9)10(11)13/h2-3,6,12H,4-5H2,1H3,(H2,11,13)
InChIKey
WRQNMMMSAXJNRP-UHFFFAOYSA-N
Compound name
5-hydroxy-2-(2-methylsulfanylethoxy)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.06161 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.06889 148.8
[M+Na]+ 250.05083 158.7
[M+NH4]+ 245.09543 156.0
[M+K]+ 266.02477 152.1
[M-H]- 226.05433 149.9
[M+Na-2H]- 248.03628 152.8
[M]+ 227.06106 150.7
[M]- 227.06216 150.7
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.