CID 3157493

2-{imidazo[2,1-b][1,3]thiazol-6-yl}acetic acid

Structural Information

Molecular Formula
C7H6N2O2S
SMILES
C1=CSC2=NC(=CN21)CC(=O)O
InChI
InChI=1S/C7H6N2O2S/c10-6(11)3-5-4-9-1-2-12-7(9)8-5/h1-2,4H,3H2,(H,10,11)
InChIKey
FQIBVYSYFWBQHP-UHFFFAOYSA-N
Compound name
2-imidazo[2,1-b][1,3]thiazol-6-ylacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

24
Patents

182.015 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.02228 135.3
[M+Na]+ 205.00422 147.0
[M-H]- 181.00772 137.5
[M+NH4]+ 200.04882 157.5
[M+K]+ 220.97816 144.7
[M+H-H2O]+ 165.01226 130.1
[M+HCOO]- 227.01320 154.0
[M+CH3COO]- 241.02885 149.6
[M+Na-2H]- 202.98967 137.8
[M]+ 182.01445 140.1
[M]- 182.01555 140.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe