CID 16641932

857493-72-2

Structural Information

Molecular Formula

C₈H₆N₂O₃S₂

SMILES

C1=CSC2=NC(=C(N21)C=O)SCC(=O)O

InChI

InChI=1S/C8H6N2O3S2/c11-3-5-7(15-4-6(12)13)9-8-10(5)1-2-14-8/h1-3H,4H2,(H,12,13)

InChIKey

JKXWZMABZFBUJM-UHFFFAOYSA-N

Compound name

2-(5-formylimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylacetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 241.98198 Da
Monoisotopic Mass: 2.1
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]+	242.98926	148.8
[M+Na]+	264.97120	161.2
[M-H]-	240.97470	151.1
[M+NH4]+	260.01580	169.0
[M+K]+	280.94514	157.4
[M+H-H2O]+	224.97924	144.5
[M+HCOO]-	286.98018	162.1
[M+CH3COO]-	300.99583	184.8
[M+Na-2H]-	262.95665	148.5
[M]+	241.98143	156.2
[M]-	241.98253	156.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe