CID 13426060

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

Structural Information

Molecular Formula
C6H5N3O2S
SMILES
CC1=NN2C=C(N=C2S1)C(=O)O
InChI
InChI=1S/C6H5N3O2S/c1-3-8-9-2-4(5(10)11)7-6(9)12-3/h2H,1H3,(H,10,11)
InChIKey
XPVBUTIMBWWGJS-UHFFFAOYSA-N
Compound name
2-methylimidazo[2,1-b][1,3,4]thiadiazole-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.01025 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.017526 134.5
[M+Na]+ 205.999468 147.6
[M-H]- 182.002974 136.0
[M+NH4]+ 201.044073 155.7
[M+K]+ 221.973408 145.3
[M+H-H2O]+ 166.007510 129.1
[M+HCOO]- 228.008451 152.3
[M+CH3COO]- 242.024101 148.9
[M+Na-2H]- 203.984916 136.7
[M]+ 183.00970142 139.9
[M]- 183.01079858 139.9
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

No patent data available for this compound.