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]+ 186.021936 135.2
[M+Na]+ 208.003878 144.7
[M-H]- 184.007384 142.7
[M+NH4]+ 203.048483 155.3
[M+K]+ 223.977818 145.8
[M+H-H2O]+ 168.011920 130.6
[M+HCOO]- 230.012861 153.7
[M+CH3COO]- 244.028511 149.9
[M+Na-2H]- 205.989326 137.5
[M]+ 185.01411142 138.7
[M]- 185.01520858 138.7
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.