CID 55255196

5-(1,3-dioxolan-2-yl)-1,3-thiazole

Structural Information

Molecular Formula
C6H7NO2S
SMILES
C1COC(O1)C2=CN=CS2
InChI
InChI=1S/C6H7NO2S/c1-2-9-6(8-1)5-3-7-4-10-5/h3-4,6H,1-2H2
InChIKey
RAJAQBUOYQZUEW-UHFFFAOYSA-N
Compound name
5-(1,3-dioxolan-2-yl)-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

157.01974 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.02702 128.1
[M+Na]+ 180.00896 137.1
[M-H]- 156.01246 135.4
[M+NH4]+ 175.05356 149.2
[M+K]+ 195.98290 138.6
[M+H-H2O]+ 140.01700 123.4
[M+HCOO]- 202.01794 146.5
[M+CH3COO]- 216.03359 143.0
[M+Na-2H]- 177.99441 131.4
[M]+ 157.01919 130.1
[M]- 157.02029 130.1
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

patents stripe