CID 1713638

68762-59-4

Structural Information

Molecular Formula
C9H9NO3S
SMILES
CC(=O)N/C(=C/C1=CC=CS1)/C(=O)O
InChI
InChI=1S/C9H9NO3S/c1-6(11)10-8(9(12)13)5-7-3-2-4-14-7/h2-5H,1H3,(H,10,11)(H,12,13)/b8-5+
InChIKey
GIYLBBHMKLRLOF-VMPITWQZSA-N
Compound name
(E)-2-acetamido-3-thiophen-2-ylprop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

10
Patents

211.03032 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.03760 147.5
[M+Na]+ 234.01954 154.5
[M+NH4]+ 229.06414 153.8
[M+K]+ 249.99348 151.0
[M-H]- 210.02304 146.8
[M+Na-2H]- 232.00499 149.6
[M]+ 211.02977 148.2
[M]- 211.03087 148.2
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