CID 132342171

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

Structural Information

Molecular Formula
C6H7NO3S
SMILES
COC1=C(C(=NS1)OC)C=O
InChI
InChI=1S/C6H7NO3S/c1-9-5-4(3-8)6(10-2)11-7-5/h3H,1-2H3
InChIKey
XGVLMVMAURBUSC-UHFFFAOYSA-N
Compound name
3,5-dimethoxy-1,2-thiazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

173.01466 Da
Monoisotopic Mass

1.1
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.