CID 15056272

3-(1,3-thiazol-4-yl)prop-2-enoic acid

Structural Information

Molecular Formula
C6H5NO2S
SMILES
C1=C(N=CS1)/C=C/C(=O)O
InChI
InChI=1S/C6H5NO2S/c8-6(9)2-1-5-3-10-4-7-5/h1-4H,(H,8,9)/b2-1+
InChIKey
IXZOCDJVRALXCG-OWOJBTEDSA-N
Compound name
(E)-3-(1,3-thiazol-4-yl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

155.0041 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.01138 131.9
[M+Na]+ 177.99332 141.8
[M+NH4]+ 173.03792 139.5
[M+K]+ 193.96726 136.7
[M-H]- 153.99682 131.5
[M+Na-2H]- 175.97877 135.7
[M]+ 155.00355 133.3
[M]- 155.00465 133.3
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