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
4
Annotation Hits

0
References

514
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 132.3
[M+Na]+ 178.06609 140.8
[M-H]- 154.06959 134.8
[M+NH4]+ 173.11069 154.7
[M+K]+ 194.04003 138.7
[M+H-H2O]+ 138.07413 126.4
[M+HCOO]- 200.07507 151.5
[M+CH3COO]- 214.09072 175.2
[M+Na-2H]- 176.05154 135.0
[M]+ 155.07632 135.5
[M]- 155.07742 135.5
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