CID 3052909

2-thiazoline, 2-butylthio-

Structural Information

Molecular Formula

C₇H₁₃NS₂

SMILES

CCCCSC1=NCCS1

InChI

InChI=1S/C7H13NS2/c1-2-3-5-9-7-8-4-6-10-7/h2-6H2,1H3

InChIKey

ATSNNLQPZFXLMD-UHFFFAOYSA-N

Compound name

2-butylsulfanyl-4,5-dihydro-1,3-thiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 175.04893 Da
Monoisotopic Mass: 2.5
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]+	176.05621	134.8
[M+Na]+	198.03815	143.2
[M-H]-	174.04165	137.1
[M+NH4]+	193.08275	156.7
[M+K]+	214.01209	140.3
[M+H-H2O]+	158.04619	129.2
[M+HCOO]-	220.04713	147.3
[M+CH3COO]-	234.06278	176.9
[M+Na-2H]-	196.02360	134.5
[M]+	175.04838	137.1
[M]-	175.04948	137.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe