CID 15056272

133047-17-3

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

16
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 130.2
[M+Na]+ 177.99332 139.1
[M-H]- 153.99682 131.7
[M+NH4]+ 173.03792 151.5
[M+K]+ 193.96726 136.6
[M+H-H2O]+ 138.00136 124.7
[M+HCOO]- 200.00230 148.3
[M+CH3COO]- 214.01795 168.6
[M+Na-2H]- 175.97877 132.3
[M]+ 155.00355 131.4
[M]- 155.00465 131.4
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