CID 55296072

2,4-diethyl-5-propylthiazole

Structural Information

Molecular Formula
C10H17NS
SMILES
CCCC1=C(N=C(S1)CC)CC
InChI
InChI=1S/C10H17NS/c1-4-7-9-8(5-2)11-10(6-3)12-9/h4-7H2,1-3H3
InChIKey
PLNOQQXXGQYCKQ-UHFFFAOYSA-N
Compound name
2,4-diethyl-5-propyl-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.10817 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.11545 140.1
[M+Na]+ 206.09739 149.5
[M-H]- 182.10089 143.1
[M+NH4]+ 201.14199 162.1
[M+K]+ 222.07133 146.8
[M+H-H2O]+ 166.10543 134.4
[M+HCOO]- 228.10637 158.6
[M+CH3COO]- 242.12202 183.3
[M+Na-2H]- 204.08284 140.5
[M]+ 183.10762 144.8
[M]- 183.10872 144.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe