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]+ 211.01720 141.8
[M+Na]+ 232.99914 154.7
[M-H]- 209.00264 144.6
[M+NH4]+ 228.04374 163.3
[M+K]+ 248.97308 152.0
[M+H-H2O]+ 193.00718 137.1
[M+HCOO]- 255.00812 160.4
[M+CH3COO]- 269.02377 181.2
[M+Na-2H]- 230.98459 142.7
[M]+ 210.00937 148.4
[M]- 210.01047 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.