CID 16227107

878259-87-1

Structural Information

Molecular Formula
C11H8N2O2S2
SMILES
C1=CSC(=C1)C2=CN3C(=CSC3=N2)CC(=O)O
InChI
InChI=1S/C11H8N2O2S2/c14-10(15)4-7-6-17-11-12-8(5-13(7)11)9-2-1-3-16-9/h1-3,5-6H,4H2,(H,14,15)
InChIKey
XWSSFCNLPSHTJE-UHFFFAOYSA-N
Compound name
2-(6-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.00272 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.01000 155.3
[M+Na]+ 286.99194 166.9
[M+NH4]+ 282.03654 163.9
[M+K]+ 302.96588 162.7
[M-H]- 262.99544 157.5
[M+Na-2H]- 284.97739 160.1
[M]+ 264.00217 158.4
[M]- 264.00327 158.4
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

No patent data available for this compound.