CID 4445031

19692-02-5

Structural Information

Molecular Formula
C11H12N2O3S
SMILES
C1C=CCC(C1C(=O)NC2=NC=CS2)C(=O)O
InChI
InChI=1S/C11H12N2O3S/c14-9(13-11-12-5-6-17-11)7-3-1-2-4-8(7)10(15)16/h1-2,5-8H,3-4H2,(H,15,16)(H,12,13,14)
InChIKey
TTYCDMFAARNYKZ-UHFFFAOYSA-N
Compound name
6-(1,3-thiazol-2-ylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

252.05687 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.06415 154.8
[M+Na]+ 275.04609 163.0
[M+NH4]+ 270.09069 161.5
[M+K]+ 291.02003 158.9
[M-H]- 251.04959 156.2
[M+Na-2H]- 273.03154 159.0
[M]+ 252.05632 156.3
[M]- 252.05742 156.3
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