CID 45084000

95453-55-7

Structural Information

Molecular Formula
C5H5NOS2
SMILES
CSC1=NC=C(S1)C=O
InChI
InChI=1S/C5H5NOS2/c1-8-5-6-2-4(3-7)9-5/h2-3H,1H3
InChIKey
ZCTRZOGRFFKGSJ-UHFFFAOYSA-N
Compound name
2-methylsulfanyl-1,3-thiazole-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

158.98126 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.98854 131.0
[M+Na]+ 181.97048 142.0
[M+NH4]+ 177.01508 140.3
[M+K]+ 197.94442 133.9
[M-H]- 157.97398 132.5
[M+Na-2H]- 179.95593 135.0
[M]+ 158.98071 133.8
[M]- 158.98181 133.8
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