CID 7537662

859851-03-9

Structural Information

Molecular Formula

C₈H₁₁NO₂S

SMILES

CNCC1=C2C(=CS1)OCCO2

InChI

InChI=1S/C8H11NO2S/c1-9-4-7-8-6(5-12-7)10-2-3-11-8/h5,9H,2-4H2,1H3

InChIKey

OKANPAKWXRYBAJ-UHFFFAOYSA-N

Compound name

1-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-N-methylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 185.05106 Da
Monoisotopic Mass: 0.7
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]+	186.058336	135.3
[M+Na]+	208.040278	143.2
[M-H]-	184.043784	141.2
[M+NH4]+	203.084883	155.9
[M+K]+	224.014218	143.4
[M+H-H2O]+	168.048320	130.6
[M+HCOO]-	230.049261	152.8
[M+CH3COO]-	244.064911	149.2
[M+Na-2H]-	206.025726	141.3
[M]+	185.05051142	137.7
[M]-	185.05160858	137.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.