CID 20789163

60755-68-2

Structural Information

Molecular Formula

C₅H₁₃NO₂

SMILES

CNCC(COC)O

InChI

InChI=1S/C5H13NO2/c1-6-3-5(7)4-8-2/h5-7H,3-4H2,1-2H3

InChIKey

FQPOLOTYYAEFEQ-UHFFFAOYSA-N

Compound name

1-methoxy-3-(methylamino)propan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 74
Patents: 119.09463 Da
Monoisotopic Mass: -1.0
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	124.3
[M+Na]+	142.08385	133.0
[M+NH4]+	137.12845	131.7
[M+K]+	158.05779	128.8
[M-H]-	118.08735	123.5
[M+Na-2H]-	140.06930	127.5
[M]+	119.09408	124.9
[M]-	119.09518	124.9

Literature stripe

literature stripe

Patent stripe

patents stripe