CID 53754611

2-ethyl-4-propylthiazole

Structural Information

Molecular Formula
C8H13NS
SMILES
CCCC1=CSC(=N1)CC
InChI
InChI=1S/C8H13NS/c1-3-5-7-6-10-8(4-2)9-7/h6H,3-5H2,1-2H3
InChIKey
DDNSNWZYKNNLRJ-UHFFFAOYSA-N
Compound name
2-ethyl-4-propyl-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

155.07687 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.08415 133.7
[M+Na]+ 178.06609 145.4
[M+NH4]+ 173.11069 143.2
[M+K]+ 194.04003 138.1
[M-H]- 154.06959 135.6
[M+Na-2H]- 176.05154 138.9
[M]+ 155.07632 136.4
[M]- 155.07742 136.4
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