CID 206597

4,5-dihydro-2-butylthiazole

Structural Information

Molecular Formula
C7H13NS
SMILES
CCCCC1=NCCS1
InChI
InChI=1S/C7H13NS/c1-2-3-4-7-8-5-6-9-7/h2-6H2,1H3
InChIKey
NTJAWQUVLBPTQF-UHFFFAOYSA-N
Compound name
2-butyl-4,5-dihydro-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

143.07687 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.08415 130.8
[M+Na]+ 166.06609 141.5
[M+NH4]+ 161.11069 140.5
[M+K]+ 182.04003 134.4
[M-H]- 142.06959 132.6
[M+Na-2H]- 164.05154 135.7
[M]+ 143.07632 133.2
[M]- 143.07742 133.2
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