CID 210383

Thiazole, 4,5-dihydro-2-pentyl-

Structural Information

Molecular Formula
C8H15NS
SMILES
CCCCCC1=NCCS1
InChI
InChI=1S/C8H15NS/c1-2-3-4-5-8-9-6-7-10-8/h2-7H2,1H3
InChIKey
PIMCGAKUCICUDA-UHFFFAOYSA-N
Compound name
2-pentyl-4,5-dihydro-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

433
Patents

157.09251 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.099786 134.2
[M+Na]+ 180.081728 141.6
[M-H]- 156.085234 136.3
[M+NH4]+ 175.126333 156.5
[M+K]+ 196.055668 139.8
[M+H-H2O]+ 140.089770 128.2
[M+HCOO]- 202.090711 152.0
[M+CH3COO]- 216.106361 175.5
[M+Na-2H]- 178.067176 135.9
[M]+ 157.09196142 136.0
[M]- 157.09305858 136.0
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