CID 85073

2,5-diethylthiazole

Structural Information

Molecular Formula
C7H11NS
SMILES
CCC1=CN=C(S1)CC
InChI
InChI=1S/C7H11NS/c1-3-6-5-8-7(4-2)9-6/h5H,3-4H2,1-2H3
InChIKey
PATFUZGQWONVOC-UHFFFAOYSA-N
Compound name
2,5-diethyl-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

0
References

65
Patents

141.06122 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.068496 127.3
[M+Na]+ 164.050438 137.1
[M-H]- 140.053944 130.4
[M+NH4]+ 159.095043 150.6
[M+K]+ 180.024378 135.2
[M+H-H2O]+ 124.058480 121.8
[M+HCOO]- 186.059421 146.8
[M+CH3COO]- 200.075071 173.2
[M+Na-2H]- 162.035886 129.8
[M]+ 141.06067142 130.4
[M]- 141.06176858 130.4
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