CID 11206397

N-(4-hydroxyphenyl)-2-(methylsulfanyl)acetamide

Structural Information

Molecular Formula
C9H11NO2S
SMILES
CSCC(=O)NC1=CC=C(C=C1)O
InChI
InChI=1S/C9H11NO2S/c1-13-6-9(12)10-7-2-4-8(11)5-3-7/h2-5,11H,6H2,1H3,(H,10,12)
InChIKey
SEVNIYSZEGCSPN-UHFFFAOYSA-N
Compound name
N-(4-hydroxyphenyl)-2-methylsulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

197.05106 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.058336 140.5
[M+Na]+ 220.040278 147.6
[M-H]- 196.043784 143.1
[M+NH4]+ 215.084883 159.5
[M+K]+ 236.014218 144.4
[M+H-H2O]+ 180.048320 134.6
[M+HCOO]- 242.049261 158.8
[M+CH3COO]- 256.064911 181.8
[M+Na-2H]- 218.025726 143.5
[M]+ 197.05051142 141.7
[M]- 197.05160858 141.7
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

patents stripe