CID 518856

2,5-diethyl-4-methylthiazole

Structural Information

Molecular Formula
C8H13NS
SMILES
CCC1=C(N=C(S1)CC)C
InChI
InChI=1S/C8H13NS/c1-4-7-6(3)9-8(5-2)10-7/h4-5H2,1-3H3
InChIKey
AEVBKBWVXISVBJ-UHFFFAOYSA-N
Compound name
2,5-diethyl-4-methyl-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

68
Patents

155.07687 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.08415 131.1
[M+Na]+ 178.06609 141.4
[M-H]- 154.06959 134.4
[M+NH4]+ 173.11069 154.2
[M+K]+ 194.04003 139.2
[M+H-H2O]+ 138.07413 125.8
[M+HCOO]- 200.07507 150.2
[M+CH3COO]- 214.09072 177.3
[M+Na-2H]- 176.05154 132.5
[M]+ 155.07632 135.0
[M]- 155.07742 135.0
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