CID 2776249

2,4-dimethyl-1,3-thiazole-5-carbaldehyde

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

263
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

patents stripe