CID 165987200

4-ethynyl-1,3-thiazole-5-carbaldehyde

Structural Information

Molecular Formula
C6H3NOS
SMILES
C#CC1=C(SC=N1)C=O
InChI
InChI=1S/C6H3NOS/c1-2-5-6(3-8)9-4-7-5/h1,3-4H
InChIKey
MFWPZDBESRMAOU-UHFFFAOYSA-N
Compound name
4-ethynyl-1,3-thiazole-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

136.99353 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.00081 128.2
[M+Na]+ 159.98275 140.9
[M-H]- 135.98625 130.4
[M+NH4]+ 155.02735 148.8
[M+K]+ 175.95669 137.9
[M+H-H2O]+ 119.99079 116.6
[M+HCOO]- 181.99173 142.8
[M+CH3COO]- 196.00738 178.9
[M+Na-2H]- 157.96820 130.4
[M]+ 136.99298 125.5
[M]- 136.99408 125.5
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.