CID 333031

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

Structural Information

Molecular Formula
C7H5N3S
SMILES
CC1=C(N2C=CSC2=N1)C#N
InChI
InChI=1S/C7H5N3S/c1-5-6(4-8)10-2-3-11-7(10)9-5/h2-3H,1H3
InChIKey
AFVXRQLICXOZJZ-UHFFFAOYSA-N
Compound name
6-methylimidazo[2,1-b][1,3]thiazole-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

163.02042 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.027696 135.1
[M+Na]+ 186.009638 150.1
[M-H]- 162.013144 138.2
[M+NH4]+ 181.054243 156.8
[M+K]+ 201.983578 146.5
[M+H-H2O]+ 146.017680 122.5
[M+HCOO]- 208.018621 151.9
[M+CH3COO]- 222.034271 148.8
[M+Na-2H]- 183.995086 137.9
[M]+ 163.01987142 134.9
[M]- 163.02096858 134.9
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