CID 9115270

102410-25-3

Structural Information

Molecular Formula
C8H8N2OS
SMILES
CC1=CN2C(=C(N=C2S1)C)C=O
InChI
InChI=1S/C8H8N2OS/c1-5-3-10-7(4-11)6(2)9-8(10)12-5/h3-4H,1-2H3
InChIKey
QYPQGPDZMPQWMT-UHFFFAOYSA-N
Compound name
2,6-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]+ 181.043016 135.1
[M+Na]+ 203.024958 149.1
[M-H]- 179.028464 139.2
[M+NH4]+ 198.069563 159.0
[M+K]+ 218.998898 146.4
[M+H-H2O]+ 163.033000 130.2
[M+HCOO]- 225.033941 155.8
[M+CH3COO]- 239.049591 150.7
[M+Na-2H]- 201.010406 137.2
[M]+ 180.03519142 142.1
[M]- 180.03628858 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