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

168
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 118.8
[M+Na]+ 136.01914 128.6
[M-H]- 112.02264 121.9
[M+NH4]+ 131.06374 142.9
[M+K]+ 151.99308 127.3
[M+H-H2O]+ 96.027180 113.5
[M+HCOO]- 158.02812 139.0
[M+CH3COO]- 172.04377 166.2
[M+Na-2H]- 134.00459 123.0
[M]+ 113.02937 120.9
[M]- 113.03047 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