CID 22150015

2-pentylthiazole

Structural Information

Molecular Formula
C8H13NS
SMILES
CCCCCC1=NC=CS1
InChI
InChI=1S/C8H13NS/c1-2-3-4-5-8-9-6-7-10-8/h6-7H,2-5H2,1H3
InChIKey
QFYWDJHDOCZKRF-UHFFFAOYSA-N
Compound name
2-pentyl-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

388
Patents

155.07687 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.08415 133.6
[M+Na]+ 178.06609 145.0
[M+NH4]+ 173.11069 143.2
[M+K]+ 194.04003 137.5
[M-H]- 154.06959 135.6
[M+Na-2H]- 176.05154 139.2
[M]+ 155.07632 136.2
[M]- 155.07742 136.2
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