CID 329947

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

Structural Information

Molecular Formula
C7H6N2OS
SMILES
CC1=C(N2C=CSC2=N1)C=O
InChI
InChI=1S/C7H6N2OS/c1-5-6(4-10)9-2-3-11-7(9)8-5/h2-4H,1H3
InChIKey
MCWDDAAVFNMHKO-UHFFFAOYSA-N
Compound name
6-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

186
Patents

166.02008 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.02736 130.8
[M+Na]+ 189.00930 144.5
[M-H]- 165.01280 134.8
[M+NH4]+ 184.05390 155.0
[M+K]+ 204.98324 142.0
[M+H-H2O]+ 149.01734 125.7
[M+HCOO]- 211.01828 151.9
[M+CH3COO]- 225.03393 146.6
[M+Na-2H]- 186.99475 134.0
[M]+ 166.01953 137.1
[M]- 166.02063 137.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe