CID 56843050

83418-53-5

Structural Information

Molecular Formula
C10H19NS
SMILES
CCC1C(=NC(S1)CC(C)C)C
InChI
InChI=1S/C10H19NS/c1-5-9-8(4)11-10(12-9)6-7(2)3/h7,9-10H,5-6H2,1-4H3
InChIKey
KQXISUWXTVZWDG-UHFFFAOYSA-N
Compound name
5-ethyl-4-methyl-2-(2-methylpropyl)-2,5-dihydro-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

185.12383 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.131106 142.4
[M+Na]+ 208.113048 150.3
[M-H]- 184.116554 145.0
[M+NH4]+ 203.157653 164.0
[M+K]+ 224.086988 148.4
[M+H-H2O]+ 168.121090 136.7
[M+HCOO]- 230.122031 158.3
[M+CH3COO]- 244.137681 184.5
[M+Na-2H]- 206.098496 140.7
[M]+ 185.12328142 145.0
[M]- 185.12437858 145.0
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

No patent data available for this compound.