CID 207282

4-ethyl-1,3-thiazole

Structural Information

Molecular Formula
C5H7NS
SMILES
CCC1=CSC=N1
InChI
InChI=1S/C5H7NS/c1-2-5-3-7-4-6-5/h3-4H,2H2,1H3
InChIKey
CGOVTZGCKPMLMN-UHFFFAOYSA-N
Compound name
4-ethyl-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1247
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

literature stripe

Patent stripe

patents stripe