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]+ 155.027356 129.4
[M+Na]+ 177.009298 140.5
[M-H]- 153.012804 132.3
[M+NH4]+ 172.053903 153.4
[M+K]+ 192.983238 138.9
[M+H-H2O]+ 137.017340 124.0
[M+HCOO]- 199.018281 147.9
[M+CH3COO]- 213.033931 144.0
[M+Na-2H]- 174.994746 131.9
[M]+ 154.01953142 132.1
[M]- 154.02062858 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