CID 45083410

211943-05-4

Structural Information

Molecular Formula
C6H7NOS
SMILES
CCC1=CSC(=N1)C=O
InChI
InChI=1S/C6H7NOS/c1-2-5-4-9-6(3-8)7-5/h3-4H,2H2,1H3
InChIKey
JDGBKOBUBCHSGF-UHFFFAOYSA-N
Compound name
4-ethyl-1,3-thiazole-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

71
Patents

141.02484 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.03212 125.6
[M+Na]+ 164.01406 136.0
[M-H]- 140.01756 128.8
[M+NH4]+ 159.05866 148.7
[M+K]+ 179.98800 134.1
[M+H-H2O]+ 124.02210 120.2
[M+HCOO]- 186.02304 145.8
[M+CH3COO]- 200.03869 171.2
[M+Na-2H]- 161.99951 128.6
[M]+ 141.02429 129.1
[M]- 141.02539 129.1
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