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 135.2
[M+Na]+ 208.00388 144.7
[M-H]- 184.00738 142.7
[M+NH4]+ 203.04848 155.3
[M+K]+ 223.97782 145.8
[M+H-H2O]+ 168.01192 130.6
[M+HCOO]- 230.01286 153.7
[M+CH3COO]- 244.02851 149.9
[M+Na-2H]- 205.98933 137.5
[M]+ 185.01411 138.7
[M]- 185.01521 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.