CID 211465

2-propyl-4,5-dihydrothiazole

Structural Information

Molecular Formula
C6H11NS
SMILES
CCCC1=NCCS1
InChI
InChI=1S/C6H11NS/c1-2-3-6-7-4-5-8-6/h2-5H2,1H3
InChIKey
FOHLKSYCRUXPJC-UHFFFAOYSA-N
Compound name
2-propyl-4,5-dihydro-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

65
Patents

129.06122 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.06850 126.5
[M+Na]+ 152.05044 137.4
[M+NH4]+ 147.09504 136.3
[M+K]+ 168.02438 130.5
[M-H]- 128.05394 128.3
[M+Na-2H]- 150.03589 131.6
[M]+ 129.06067 128.9
[M]- 129.06177 128.9
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