CID 55296074

2-butyl-5-ethyl-4-methyl-1,3-thiazole

Structural Information

Molecular Formula
C10H17NS
SMILES
CCCCC1=NC(=C(S1)CC)C
InChI
InChI=1S/C10H17NS/c1-4-6-7-10-11-8(3)9(5-2)12-10/h4-7H2,1-3H3
InChIKey
DLQAOPSTXFKJFN-UHFFFAOYSA-N
Compound name
2-butyl-5-ethyl-4-methyl-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.10817 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.11545 140.1
[M+Na]+ 206.09739 149.5
[M-H]- 182.10089 143.1
[M+NH4]+ 201.14199 162.1
[M+K]+ 222.07133 146.8
[M+H-H2O]+ 166.10543 134.4
[M+HCOO]- 228.10637 158.6
[M+CH3COO]- 242.12202 183.3
[M+Na-2H]- 204.08284 140.5
[M]+ 183.10762 144.8
[M]- 183.10872 144.8
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