CID 39197679

1007875-80-0

Structural Information

Molecular Formula

C₉H₁₀N₂O₂S

SMILES

CC1=C(N2C(=C(SC2=N1)C)C)C(=O)O

InChI

InChI=1S/C9H10N2O2S/c1-4-7(8(12)13)11-5(2)6(3)14-9(11)10-4/h1-3H3,(H,12,13)

InChIKey

LDJHEQDLBXFQHX-UHFFFAOYSA-N

Compound name

2,3,6-trimethylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 26
Patents: 210.0463 Da
Monoisotopic Mass: 2.9
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]+	211.05358	143.5
[M+Na]+	233.03552	156.8
[M-H]-	209.03902	146.5
[M+NH4]+	228.08012	165.5
[M+K]+	249.00946	153.8
[M+H-H2O]+	193.04356	139.0
[M+HCOO]-	255.04450	161.4
[M+CH3COO]-	269.06015	184.1
[M+Na-2H]-	231.02097	143.1
[M]+	210.04575	150.2
[M]-	210.04685	150.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe