CID 71757223

2-methyl-6-(propan-2-yl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde

Structural Information

Molecular Formula
C9H11N3OS
SMILES
CC1=NN2C(=C(N=C2S1)C(C)C)C=O
InChI
InChI=1S/C9H11N3OS/c1-5(2)8-7(4-13)12-9(10-8)14-6(3)11-12/h4-5H,1-3H3
InChIKey
RRDBIIHMSDDIGG-UHFFFAOYSA-N
Compound name
2-methyl-6-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.06229 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.06957 144.3
[M+Na]+ 232.05151 157.5
[M-H]- 208.05501 147.0
[M+NH4]+ 227.09611 165.5
[M+K]+ 248.02545 154.9
[M+H-H2O]+ 192.05955 138.5
[M+HCOO]- 254.06049 162.3
[M+CH3COO]- 268.07614 186.3
[M+Na-2H]- 230.03696 144.5
[M]+ 209.06174 151.5
[M]- 209.06284 151.5
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.