CID 126970889

4-(1,3-dioxolan-2-yl)-1,3-thiazole-2-carbaldehyde

Structural Information

Molecular Formula
C7H7NO3S
SMILES
C1COC(O1)C2=CSC(=N2)C=O
InChI
InChI=1S/C7H7NO3S/c9-3-6-8-5(4-12-6)7-10-1-2-11-7/h3-4,7H,1-2H2
InChIKey
LSJFFPVNMMDWDT-UHFFFAOYSA-N
Compound name
4-(1,3-dioxolan-2-yl)-1,3-thiazole-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.01466 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.02194 136.7
[M+Na]+ 208.00388 147.2
[M+NH4]+ 203.04848 145.0
[M+K]+ 223.97782 144.5
[M-H]- 184.00738 141.0
[M+Na-2H]- 205.98933 140.4
[M]+ 185.01411 139.7
[M]- 185.01521 139.7
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.