CID 20300841

2,3-dimethoxypropan-1-amine hydrochloride

Structural Information

Molecular Formula

C₅H₁₃NO₂

SMILES

COCC(CN)OC

InChI

InChI=1S/C5H13NO2/c1-7-4-5(3-6)8-2/h5H,3-4,6H2,1-2H3

InChIKey

XMSLJZMWPNMEGK-UHFFFAOYSA-N

Compound name

2,3-dimethoxypropan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 69
Patents: 119.09463 Da
Monoisotopic Mass: -0.9
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]+	120.10191	125.3
[M+Na]+	142.08385	131.7
[M-H]-	118.08735	125.1
[M+NH4]+	137.12845	147.3
[M+K]+	158.05779	132.8
[M+H-H2O]+	102.09189	120.4
[M+HCOO]-	164.09283	149.2
[M+CH3COO]-	178.10848	173.0
[M+Na-2H]-	140.06930	130.7
[M]+	119.09408	126.5
[M]-	119.09518	126.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe