CID 39197653

1181373-40-9

Structural Information

Molecular Formula

C₈H₈N₂O₂S

SMILES

CC1=CN2C=C(N=C2S1)CC(=O)O

InChI

InChI=1S/C8H8N2O2S/c1-5-3-10-4-6(2-7(11)12)9-8(10)13-5/h3-4H,2H2,1H3,(H,11,12)

InChIKey

DMFXCYUDQZPWFQ-UHFFFAOYSA-N

Compound name

2-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 29
Patents: 196.03065 Da
Monoisotopic Mass: 1.8
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	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

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe