CID 45121743

933683-87-5

Structural Information

Molecular Formula
C6H7NOS
SMILES
CCC1=NC=C(S1)C=O
InChI
InChI=1S/C6H7NOS/c1-2-6-7-3-5(4-8)9-6/h3-4H,2H2,1H3
InChIKey
TVIVXJHUFQPZPT-UHFFFAOYSA-N
Compound name
2-ethyl-1,3-thiazole-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

141.02484 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.032116 125.6
[M+Na]+ 164.014058 136.0
[M-H]- 140.017564 128.8
[M+NH4]+ 159.058663 148.7
[M+K]+ 179.987998 134.1
[M+H-H2O]+ 124.022100 120.2
[M+HCOO]- 186.023041 145.8
[M+CH3COO]- 200.038691 171.2
[M+Na-2H]- 161.999506 128.6
[M]+ 141.02429142 129.1
[M]- 141.02538858 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