CID 588182

2,4-dipropylthiazole

Structural Information

Molecular Formula
C9H15NS
SMILES
CCCC1=CSC(=N1)CCC
InChI
InChI=1S/C9H15NS/c1-3-5-8-7-11-9(10-8)6-4-2/h7H,3-6H2,1-2H3
InChIKey
WPDYXNPBUUNZHA-UHFFFAOYSA-N
Compound name
2,4-dipropyl-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.09251 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.099786 136.3
[M+Na]+ 192.081728 145.2
[M-H]- 168.085234 139.0
[M+NH4]+ 187.126333 158.5
[M+K]+ 208.055668 142.8
[M+H-H2O]+ 152.089770 130.4
[M+HCOO]- 214.090711 155.1
[M+CH3COO]- 228.106361 179.2
[M+Na-2H]- 190.067176 137.8
[M]+ 169.09196142 140.2
[M]- 169.09305858 140.2
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

No patent data available for this compound.