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

1
Patents

139.02042 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.02770 122.9
[M+Na]+ 162.00964 136.6
[M-H]- 138.01314 125.5
[M+NH4]+ 157.05424 146.7
[M+K]+ 177.98358 134.9
[M+H-H2O]+ 122.01768 117.1
[M+HCOO]- 184.01862 143.1
[M+CH3COO]- 198.03427 138.7
[M+Na-2H]- 159.99509 127.5
[M]+ 139.01987 127.9
[M]- 139.02097 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