CID 238582

N-(3-hydroxyphenyl)-2-mercaptoacetamide

Structural Information

Molecular Formula
C8H9NO2S
SMILES
C1=CC(=CC(=C1)O)NC(=O)CS
InChI
InChI=1S/C8H9NO2S/c10-7-3-1-2-6(4-7)9-8(11)5-12/h1-4,10,12H,5H2,(H,9,11)
InChIKey
VTHZPWTWZQFKNB-UHFFFAOYSA-N
Compound name
N-(3-hydroxyphenyl)-2-sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

183.0354 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.04268 136.1
[M+Na]+ 206.02462 143.6
[M-H]- 182.02812 138.8
[M+NH4]+ 201.06922 155.6
[M+K]+ 221.99856 140.6
[M+H-H2O]+ 166.03266 130.4
[M+HCOO]- 228.03360 154.7
[M+CH3COO]- 242.04925 178.8
[M+Na-2H]- 204.01007 139.6
[M]+ 183.03485 136.9
[M]- 183.03595 136.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe