CID 14598979

4,5-dimethylthiazole-2-carbaldehyde

Structural Information

Molecular Formula
C6H7NOS
SMILES
CC1=C(SC(=N1)C=O)C
InChI
InChI=1S/C6H7NOS/c1-4-5(2)9-6(3-8)7-4/h3H,1-2H3
InChIKey
RRBIYJOEJILQJE-UHFFFAOYSA-N
Compound name
4,5-dimethyl-1,3-thiazole-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

85
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

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