CID 122576

2,4-diethylthiazole

Structural Information

Molecular Formula
C7H11NS
SMILES
CCC1=CSC(=N1)CC
InChI
InChI=1S/C7H11NS/c1-3-6-5-9-7(4-2)8-6/h5H,3-4H2,1-2H3
InChIKey
IAEOVWDULPWPSJ-UHFFFAOYSA-N
Compound name
2,4-diethyl-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

117
Patents

141.06122 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.06850 127.3
[M+Na]+ 164.05044 137.1
[M-H]- 140.05394 130.4
[M+NH4]+ 159.09504 150.6
[M+K]+ 180.02438 135.2
[M+H-H2O]+ 124.05848 121.8
[M+HCOO]- 186.05942 146.8
[M+CH3COO]- 200.07507 173.2
[M+Na-2H]- 162.03589 129.8
[M]+ 141.06067 130.4
[M]- 141.06177 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