CID 4603076

6-methylimidazo[2,1-b][1,3,4]thiadiazole

Structural Information

Molecular Formula
C5H5N3S
SMILES
CC1=CN2C(=N1)SC=N2
InChI
InChI=1S/C5H5N3S/c1-4-2-8-5(7-4)9-3-6-8/h2-3H,1H3
InChIKey
QMGBTAFRWOYLHS-UHFFFAOYSA-N
Compound name
6-methylimidazo[2,1-b][1,3,4]thiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

139.02042 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.027696 122.9
[M+Na]+ 162.009638 136.6
[M-H]- 138.013144 125.5
[M+NH4]+ 157.054243 146.7
[M+K]+ 177.983578 134.9
[M+H-H2O]+ 122.017680 117.1
[M+HCOO]- 184.018621 143.1
[M+CH3COO]- 198.034271 138.7
[M+Na-2H]- 159.995086 127.5
[M]+ 139.01987142 127.9
[M]- 139.02096858 127.9
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