CID 97958

2289-64-7

Structural Information

Molecular Formula
C8H15NS
SMILES
CCC1(N=C(C(S1)C)C)C
InChI
InChI=1S/C8H15NS/c1-5-8(4)9-6(2)7(3)10-8/h7H,5H2,1-4H3
InChIKey
CUKBJUCZKNWFOP-UHFFFAOYSA-N
Compound name
2-ethyl-2,4,5-trimethyl-5H-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

157.09251 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.09979 130.6
[M+Na]+ 180.08173 140.5
[M-H]- 156.08523 133.8
[M+NH4]+ 175.12633 155.5
[M+K]+ 196.05567 138.9
[M+H-H2O]+ 140.08977 126.2
[M+HCOO]- 202.09071 148.3
[M+CH3COO]- 216.10636 177.2
[M+Na-2H]- 178.06718 132.6
[M]+ 157.09196 133.4
[M]- 157.09306 133.4
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