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]+ 174.02194 131.5
[M+Na]+ 196.00388 142.4
[M-H]- 172.00738 135.0
[M+NH4]+ 191.04848 153.4
[M+K]+ 211.97782 141.4
[M+H-H2O]+ 156.01192 126.1
[M+HCOO]- 218.01286 152.2
[M+CH3COO]- 232.02851 176.3
[M+Na-2H]- 193.98933 134.2
[M]+ 173.01411 138.2
[M]- 173.01521 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.