CID 3065521

3-thiazoline, 2-ethyl-

Structural Information

Molecular Formula
C5H9NS
SMILES
CCC1N=CCS1
InChI
InChI=1S/C5H9NS/c1-2-5-6-3-4-7-5/h3,5H,2,4H2,1H3
InChIKey
RETWPUNUUVAWIM-UHFFFAOYSA-N
Compound name
2-ethyl-2,5-dihydro-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

115.04557 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.052846 120.8
[M+Na]+ 138.034788 129.5
[M-H]- 114.038294 123.5
[M+NH4]+ 133.079393 144.7
[M+K]+ 154.008728 128.5
[M+H-H2O]+ 98.042830 115.4
[M+HCOO]- 160.043771 139.5
[M+CH3COO]- 174.059421 166.5
[M+Na-2H]- 136.020236 124.0
[M]+ 115.04502142 121.5
[M]- 115.04611858 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

No literature data available for this compound.

Patent stripe

patents stripe