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 124.8
[M+Na]+ 164.01406 136.1
[M-H]- 140.01756 128.5
[M+NH4]+ 159.05866 148.2
[M+K]+ 179.98800 134.2
[M+H-H2O]+ 124.02210 119.8
[M+HCOO]- 186.02304 145.0
[M+CH3COO]- 200.03869 172.3
[M+Na-2H]- 161.99951 127.3
[M]+ 141.02429 128.7
[M]- 141.02539 128.7
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.