CID 11029933

213258-56-1

Structural Information

Molecular Formula
C6H7NOS
SMILES
CC1=C(N=C(S1)C)C=O
InChI
InChI=1S/C6H7NOS/c1-4-6(3-8)7-5(2)9-4/h3H,1-2H3
InChIKey
ZQEUMDIDNNTOFT-UHFFFAOYSA-N
Compound name
2,5-dimethyl-1,3-thiazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

141.02484 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.03212 128.3
[M+Na]+ 164.01406 140.3
[M+NH4]+ 159.05866 137.3
[M+K]+ 179.98800 134.1
[M-H]- 140.01756 129.6
[M+Na-2H]- 161.99951 133.2
[M]+ 141.02429 130.8
[M]- 141.02539 130.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.