CID 65051783

(3-methoxyoxan-3-yl)methanamine hydrochloride

Structural Information

Molecular Formula

C₇H₁₅NO₂

SMILES

COC1(CCCOC1)CN

InChI

InChI=1S/C7H15NO2/c1-9-7(5-8)3-2-4-10-6-7/h2-6,8H2,1H3

InChIKey

KJSNBALHIYIATM-UHFFFAOYSA-N

Compound name

(3-methoxyoxan-3-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 145.11028 Da
Monoisotopic Mass: -0.6
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]+	146.11756	130.7
[M+Na]+	168.09950	135.9
[M-H]-	144.10300	133.9
[M+NH4]+	163.14410	152.0
[M+K]+	184.07344	137.0
[M+H-H2O]+	128.10754	125.7
[M+HCOO]-	190.10848	151.5
[M+CH3COO]-	204.12413	174.0
[M+Na-2H]-	166.08495	138.4
[M]+	145.10973	127.7
[M]-	145.11083	127.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.