CID 2771292

4-methyl-1,2,3-thiadiazole-5-carbaldehyde

Structural Information

Molecular Formula
C4H4N2OS
SMILES
CC1=C(SN=N1)C=O
InChI
InChI=1S/C4H4N2OS/c1-3-4(2-7)8-6-5-3/h2H,1H3
InChIKey
OXDOIOYUIISYNE-UHFFFAOYSA-N
Compound name
4-methylthiadiazole-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

134
Patents

128.00444 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.01172 123.8
[M+Na]+ 150.99366 135.7
[M+NH4]+ 146.03826 132.3
[M+K]+ 166.96760 129.9
[M-H]- 126.99716 124.3
[M+Na-2H]- 148.97911 129.0
[M]+ 128.00389 125.9
[M]- 128.00499 125.9
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