CID 3707289

13677-17-3

Structural Information

Molecular Formula

C₈H₁₆N₂S

SMILES

CCCCNC1=NCCCS1

InChI

InChI=1S/C8H16N2S/c1-2-3-5-9-8-10-6-4-7-11-8/h2-7H2,1H3,(H,9,10)

InChIKey

VJGAOKNEAWCDSK-UHFFFAOYSA-N

Compound name

N-butyl-5,6-dihydro-4H-1,3-thiazin-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 2
Patents: 172.10342 Da
Monoisotopic Mass: 1.8
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]+	173.11070	136.6
[M+Na]+	195.09264	141.9
[M-H]-	171.09614	138.1
[M+NH4]+	190.13724	155.8
[M+K]+	211.06658	139.5
[M+H-H2O]+	155.10068	129.8
[M+HCOO]-	217.10162	153.0
[M+CH3COO]-	231.11727	179.7
[M+Na-2H]-	193.07809	140.4
[M]+	172.10287	135.1
[M]-	172.10397	135.1

Literature stripe

literature stripe

Patent stripe

patents stripe