CID 2785411

3,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde

Structural Information

Molecular Formula
C8H8N2OS
SMILES
CC1=CSC2=NC(=C(N12)C=O)C
InChI
InChI=1S/C8H8N2OS/c1-5-4-12-8-9-6(2)7(3-11)10(5)8/h3-4H,1-2H3
InChIKey
ZQFFVLCBWVWJTJ-UHFFFAOYSA-N
Compound name
3,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

180.03574 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.04302 135.1
[M+Na]+ 203.02496 149.1
[M-H]- 179.02846 139.2
[M+NH4]+ 198.06956 159.0
[M+K]+ 218.99890 146.4
[M+H-H2O]+ 163.03300 130.2
[M+HCOO]- 225.03394 155.8
[M+CH3COO]- 239.04959 150.7
[M+Na-2H]- 201.01041 137.2
[M]+ 180.03519 142.1
[M]- 180.03629 142.1
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

patents stripe