CID 116097830

3-[2-(methylsulfanyl)ethoxy]propan-1-amine

Structural Information

Molecular Formula

SMILES

CSCCOCCCN

InChI

InChI=1S/C6H15NOS/c1-9-6-5-8-4-2-3-7/h2-7H2,1H3

InChIKey

OBIGASYWCWDUHL-UHFFFAOYSA-N

Compound name

3-(2-methylsulfanylethoxy)propan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 149.08743 Da
Monoisotopic Mass: 0.1
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]+	150.09471	131.8
[M+Na]+	172.07665	140.6
[M+NH4]+	167.12125	140.2
[M+K]+	188.05059	132.9
[M-H]-	148.08015	132.2
[M+Na-2H]-	170.06210	134.7
[M]+	149.08688	133.4
[M]-	149.08798	133.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.