CID 3531885

303095-08-1

Structural Information

Molecular Formula
C8H9NO3S
SMILES
CC(=O)NC(C(=O)C1=CC=CS1)O
InChI
InChI=1S/C8H9NO3S/c1-5(10)9-8(12)7(11)6-3-2-4-13-6/h2-4,8,12H,1H3,(H,9,10)
InChIKey
CMFKKNPWGIDVLS-UHFFFAOYSA-N
Compound name
N-(1-hydroxy-2-oxo-2-thiophen-2-ylethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

199.03032 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.03760 143.5
[M+Na]+ 222.01954 149.6
[M-H]- 198.02304 146.0
[M+NH4]+ 217.06414 163.5
[M+K]+ 237.99348 148.0
[M+H-H2O]+ 182.02758 137.8
[M+HCOO]- 244.02852 161.1
[M+CH3COO]- 258.04417 180.7
[M+Na-2H]- 220.00499 143.1
[M]+ 199.02977 144.2
[M]- 199.03087 144.2
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

No patent data available for this compound.