CID 567305

4-butylthiazole

Structural Information

Molecular Formula
C7H11NS
SMILES
CCCCC1=CSC=N1
InChI
InChI=1S/C7H11NS/c1-2-3-4-7-5-9-6-8-7/h5-6H,2-4H2,1H3
InChIKey
FXVDDYOQIPLCAV-UHFFFAOYSA-N
Compound name
4-butyl-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

352
Patents

141.06122 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.06850 127.8
[M+Na]+ 164.05044 136.8
[M-H]- 140.05394 130.5
[M+NH4]+ 159.09504 150.8
[M+K]+ 180.02438 135.0
[M+H-H2O]+ 124.05848 122.1
[M+HCOO]- 186.05942 147.4
[M+CH3COO]- 200.07507 172.2
[M+Na-2H]- 162.03589 131.0
[M]+ 141.06067 130.6
[M]- 141.06177 130.6
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