CID 27282096

2,5-dipropyl-4-methylthiazole

Structural Information

Molecular Formula

C₁₀H₁₇NS

SMILES

CCCC1=C(N=C(S1)CCC)C

InChI

InChI=1S/C10H17NS/c1-4-6-9-8(3)11-10(12-9)7-5-2/h4-7H2,1-3H3

InChIKey

VAEQRSTWJQPJLA-UHFFFAOYSA-N

Compound name

4-methyl-2,5-dipropyl-1,3-thiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 183.10817 Da
Monoisotopic Mass: 3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe