CID 132398771

2171803-45-3

Structural Information

Molecular Formula
C9H8N2O3S
SMILES
CC1=C(N2C=C(SC2=N1)C(=O)OC)C=O
InChI
InChI=1S/C9H8N2O3S/c1-5-6(4-12)11-3-7(8(13)14-2)15-9(11)10-5/h3-4H,1-2H3
InChIKey
ZGSCFKMUZSYIPQ-UHFFFAOYSA-N
Compound name
methyl 5-formyl-6-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.02556 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.03284 146.1
[M+Na]+ 247.01478 159.2
[M-H]- 223.01828 150.2
[M+NH4]+ 242.05938 167.9
[M+K]+ 262.98872 157.1
[M+H-H2O]+ 207.02282 141.0
[M+HCOO]- 269.02376 166.0
[M+CH3COO]- 283.03941 186.0
[M+Na-2H]- 245.00023 147.0
[M]+ 224.02501 154.9
[M]- 224.02611 154.9
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.