CID 85053

2-ethylthiazole

Structural Information

Molecular Formula
C5H7NS
SMILES
CCC1=NC=CS1
InChI
InChI=1S/C5H7NS/c1-2-5-6-3-4-7-5/h3-4H,2H2,1H3
InChIKey
CGZDWVZMOMDGBN-UHFFFAOYSA-N
Compound name
2-ethyl-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

2444
Patents

113.02992 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.03720 120.5
[M+Na]+ 136.01914 132.5
[M+NH4]+ 131.06374 130.6
[M+K]+ 151.99308 125.7
[M-H]- 112.02264 122.6
[M+Na-2H]- 134.00459 126.8
[M]+ 113.02937 123.2
[M]- 113.03047 123.2
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