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]+ 156.011376 130.2
[M+Na]+ 177.993318 139.1
[M-H]- 153.996824 131.7
[M+NH4]+ 173.037923 151.5
[M+K]+ 193.967258 136.6
[M+H-H2O]+ 138.001360 124.7
[M+HCOO]- 200.002301 148.3
[M+CH3COO]- 214.017951 168.6
[M+Na-2H]- 175.978766 132.3
[M]+ 155.00355142 131.4
[M]- 155.00464858 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