CID 86896

2-ethyl-4,5-dihydrothiazole

Structural Information

Molecular Formula
C5H9NS
SMILES
CCC1=NCCS1
InChI
InChI=1S/C5H9NS/c1-2-5-6-3-4-7-5/h2-4H2,1H3
InChIKey
VBLYWGDAYORRDM-UHFFFAOYSA-N
Compound name
2-ethyl-4,5-dihydro-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

170
Patents

115.04557 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.05285 120.8
[M+Na]+ 138.03479 129.5
[M-H]- 114.03829 123.5
[M+NH4]+ 133.07939 144.7
[M+K]+ 154.00873 128.5
[M+H-H2O]+ 98.042830 115.4
[M+HCOO]- 160.04377 139.5
[M+CH3COO]- 174.05942 166.5
[M+Na-2H]- 136.02024 124.0
[M]+ 115.04502 121.5
[M]- 115.04612 121.5
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