CID 76223475

(3-methoxyoxan-4-yl)methanamine hydrochloride

Structural Information

Molecular Formula

C₇H₁₅NO₂

SMILES

COC1COCCC1CN

InChI

InChI=1S/C7H15NO2/c1-9-7-5-10-3-2-6(7)4-8/h6-7H,2-5,8H2,1H3

InChIKey

HMZCMIDPBAMNKC-UHFFFAOYSA-N

Compound name

(3-methoxyoxan-4-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]+	146.117556	131.2
[M+Na]+	168.099498	136.4
[M-H]-	144.103004	134.4
[M+NH4]+	163.144103	150.8
[M+K]+	184.073438	137.2
[M+H-H2O]+	128.107540	125.5
[M+HCOO]-	190.108481	152.0
[M+CH3COO]-	204.124131	175.6
[M+Na-2H]-	166.084946	137.0
[M]+	145.10973142	128.2
[M]-	145.11082858	128.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.