CID 21256477

1007875-84-4

Structural Information

Molecular Formula

C₈H₈N₂O₂S

SMILES

CC1=C(SC2=NC=C(N12)C(=O)O)C

InChI

InChI=1S/C8H8N2O2S/c1-4-5(2)13-8-9-3-6(7(11)12)10(4)8/h3H,1-2H3,(H,11,12)

InChIKey

OMIYPNSNIFYHLI-UHFFFAOYSA-N

Compound name

2,3-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 196.03065 Da
Monoisotopic Mass: 2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	197.03793	141.1
[M+Na]+	219.01987	152.4
[M+NH4]+	214.06447	149.0
[M+K]+	234.99381	149.4
[M-H]-	195.02337	140.8
[M+Na-2H]-	217.00532	144.1
[M]+	196.03010	142.9
[M]-	196.03120	142.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe