CID 23552407

4-ethyl-1,2-thiazole

Structural Information

Molecular Formula
C5H7NS
SMILES
CCC1=CSN=C1
InChI
InChI=1S/C5H7NS/c1-2-5-3-6-7-4-5/h3-4H,2H2,1H3
InChIKey
JYFJKUKQUVKALR-UHFFFAOYSA-N
Compound name
4-ethyl-1,2-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

179
Patents

113.02992 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.037196 118.8
[M+Na]+ 136.019138 128.6
[M-H]- 112.022644 121.9
[M+NH4]+ 131.063743 142.9
[M+K]+ 151.993078 127.3
[M+H-H2O]+ 96.027180 113.5
[M+HCOO]- 158.028121 139.0
[M+CH3COO]- 172.043771 166.2
[M+Na-2H]- 134.004586 123.0
[M]+ 113.02937142 120.9
[M]- 113.03046858 120.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe