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
6
Annotation Hits

0
References

69
Patents

155.07687 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.084146 131.1
[M+Na]+ 178.066088 141.4
[M-H]- 154.069594 134.4
[M+NH4]+ 173.110693 154.2
[M+K]+ 194.040028 139.2
[M+H-H2O]+ 138.074130 125.8
[M+HCOO]- 200.075071 150.2
[M+CH3COO]- 214.090721 177.3
[M+Na-2H]- 176.051536 132.5
[M]+ 155.07632142 135.0
[M]- 155.07741858 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