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]+ 225.032836 146.1
[M+Na]+ 247.014778 159.2
[M-H]- 223.018284 150.2
[M+NH4]+ 242.059383 167.9
[M+K]+ 262.988718 157.1
[M+H-H2O]+ 207.022820 141.0
[M+HCOO]- 269.023761 166.0
[M+CH3COO]- 283.039411 186.0
[M+Na-2H]- 245.000226 147.0
[M]+ 224.02501142 154.9
[M]- 224.02610858 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.