CID 12312080

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

Structural Information

Molecular Formula
C8H8N2O2S
SMILES
CC1=CSC2=NC(=CN12)CC(=O)O
InChI
InChI=1S/C8H8N2O2S/c1-5-4-13-8-9-6(2-7(11)12)3-10(5)8/h3-4H,2H2,1H3,(H,11,12)
InChIKey
VWMBQSZREIYZLS-UHFFFAOYSA-N
Compound name
2-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

196.03065 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.03793 139.6
[M+Na]+ 219.01987 151.7
[M-H]- 195.02337 142.1
[M+NH4]+ 214.06447 161.6
[M+K]+ 234.99381 149.1
[M+H-H2O]+ 179.02791 134.6
[M+HCOO]- 241.02885 158.0
[M+CH3COO]- 255.04450 178.8
[M+Na-2H]- 217.00532 141.0
[M]+ 196.03010 145.2
[M]- 196.03120 145.2
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