CID 12461970

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

Structural Information

Molecular Formula
C8H8N2O2S
SMILES
CC1=CN2C(=CSC2=N1)CC(=O)O
InChI
InChI=1S/C8H8N2O2S/c1-5-3-10-6(2-7(11)12)4-13-8(10)9-5/h3-4H,2H2,1H3,(H,11,12)
InChIKey
CTNHTIHQPGDYJK-UHFFFAOYSA-N
Compound name
2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

18
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

literature stripe

Patent stripe

patents stripe