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

7
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 127.4
[M+Na]+ 181.97048 138.5
[M-H]- 157.97398 130.7
[M+NH4]+ 177.01508 150.0
[M+K]+ 197.94442 135.5
[M+H-H2O]+ 141.97852 122.4
[M+HCOO]- 203.97946 142.2
[M+CH3COO]- 217.99511 173.3
[M+Na-2H]- 179.95593 128.4
[M]+ 158.98071 131.4
[M]- 158.98181 131.4
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