CID 137951531

2219375-81-0

Structural Information

Molecular Formula
C8H6N2O3S
SMILES
CC1=C(N2C=C(SC2=N1)C(=O)O)C=O
InChI
InChI=1S/C8H6N2O3S/c1-4-5(3-11)10-2-6(7(12)13)14-8(10)9-4/h2-3H,1H3,(H,12,13)
InChIKey
VUQXJEAXTHRVSR-UHFFFAOYSA-N
Compound name
5-formyl-6-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.00992 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.017196 141.8
[M+Na]+ 232.999138 154.7
[M-H]- 209.002644 144.6
[M+NH4]+ 228.043743 163.3
[M+K]+ 248.973078 152.0
[M+H-H2O]+ 193.007180 137.1
[M+HCOO]- 255.008121 160.4
[M+CH3COO]- 269.023771 181.2
[M+Na-2H]- 230.984586 142.7
[M]+ 210.00937142 148.4
[M]- 210.01046858 148.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.