CID 22342545

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

Structural Information

Molecular Formula
C6H7NO3S
SMILES
COC1=C(SC(=N1)OC)C=O
InChI
InChI=1S/C6H7NO3S/c1-9-5-4(3-8)11-6(7-5)10-2/h3H,1-2H3
InChIKey
SERPDSQWFDEXHJ-UHFFFAOYSA-N
Compound name
2,4-dimethoxy-1,3-thiazole-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

173.01466 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.021936 131.5
[M+Na]+ 196.003878 142.4
[M-H]- 172.007384 135.0
[M+NH4]+ 191.048483 153.4
[M+K]+ 211.977818 141.4
[M+H-H2O]+ 156.011920 126.1
[M+HCOO]- 218.012861 152.2
[M+CH3COO]- 232.028511 176.3
[M+Na-2H]- 193.989326 134.2
[M]+ 173.01411142 138.2
[M]- 173.01520858 138.2
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