CID 568152

5-ethoxythiazole

Structural Information

Molecular Formula
C5H7NOS
SMILES
CCOC1=CN=CS1
InChI
InChI=1S/C5H7NOS/c1-2-7-5-3-6-4-8-5/h3-4H,2H2,1H3
InChIKey
CAYSHAOATVWHSR-UHFFFAOYSA-N
Compound name
5-ethoxy-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

129.02484 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.03212 122.4
[M+Na]+ 152.01406 132.1
[M-H]- 128.01756 125.4
[M+NH4]+ 147.05866 145.8
[M+K]+ 167.98800 131.2
[M+H-H2O]+ 112.02210 116.9
[M+HCOO]- 174.02304 142.8
[M+CH3COO]- 188.03869 168.0
[M+Na-2H]- 149.99951 126.6
[M]+ 129.02429 125.9
[M]- 129.02539 125.9
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