CID 83872752

2648994-45-8

Structural Information

Molecular Formula
C6H6N2OS
SMILES
C1CN2C=C(SC2=N1)C=O
InChI
InChI=1S/C6H6N2OS/c9-4-5-3-8-2-1-7-6(8)10-5/h3-4H,1-2H2
InChIKey
IHRTXCVCVNBWQN-UHFFFAOYSA-N
Compound name
5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

154.02008 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.02736 129.4
[M+Na]+ 177.00930 140.5
[M-H]- 153.01280 132.3
[M+NH4]+ 172.05390 153.4
[M+K]+ 192.98324 138.9
[M+H-H2O]+ 137.01734 124.0
[M+HCOO]- 199.01828 147.9
[M+CH3COO]- 213.03393 144.0
[M+Na-2H]- 174.99475 131.9
[M]+ 154.01953 132.1
[M]- 154.02063 132.1
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