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]+ 198.05834 140.5
[M+Na]+ 220.04028 147.6
[M-H]- 196.04378 143.1
[M+NH4]+ 215.08488 159.5
[M+K]+ 236.01422 144.4
[M+H-H2O]+ 180.04832 134.6
[M+HCOO]- 242.04926 158.8
[M+CH3COO]- 256.06491 181.8
[M+Na-2H]- 218.02573 143.5
[M]+ 197.05051 141.7
[M]- 197.05161 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