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 129.8
[M+Na]+ 166.06609 137.6
[M-H]- 142.06959 132.1
[M+NH4]+ 161.11069 152.6
[M+K]+ 182.04003 136.1
[M+H-H2O]+ 126.07413 124.0
[M+HCOO]- 188.07507 147.8
[M+CH3COO]- 202.09072 172.5
[M+Na-2H]- 164.05154 132.0
[M]+ 143.07632 131.1
[M]- 143.07742 131.1
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