CID 4418339

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

Structural Information

Molecular Formula
C9H8N2OS
SMILES
C1CC1C2=C(N3C=CSC3=N2)C=O
InChI
InChI=1S/C9H8N2OS/c12-5-7-8(6-1-2-6)10-9-11(7)3-4-13-9/h3-6H,1-2H2
InChIKey
DLXDDZCOOXLWAD-UHFFFAOYSA-N
Compound name
6-cyclopropylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.03574 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.043016 139.8
[M+Na]+ 215.024958 154.1
[M-H]- 191.028464 147.0
[M+NH4]+ 210.069563 157.7
[M+K]+ 230.998898 149.5
[M+H-H2O]+ 175.033000 134.0
[M+HCOO]- 237.033941 160.3
[M+CH3COO]- 251.049591 154.4
[M+Na-2H]- 213.010406 142.1
[M]+ 192.03519142 147.3
[M]- 192.03628858 147.3
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

No patent data available for this compound.