CID 521382

4-methyl-2-propylthiazole

Structural Information

Molecular Formula
C7H11NS
SMILES
CCCC1=NC(=CS1)C
InChI
InChI=1S/C7H11NS/c1-3-4-7-8-6(2)5-9-7/h5H,3-4H2,1-2H3
InChIKey
WUISKNCHCVXERE-UHFFFAOYSA-N
Compound name
4-methyl-2-propyl-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
Patents

141.06122 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.06850 129.3
[M+Na]+ 164.05044 141.2
[M+NH4]+ 159.09504 139.0
[M+K]+ 180.02438 134.1
[M-H]- 140.05394 131.3
[M+Na-2H]- 162.03589 134.8
[M]+ 141.06067 132.0
[M]- 141.06177 132.0
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