CID 22613949

4-amino-3-methoxybutan-1-ol

Structural Information

Molecular Formula

C₅H₁₃NO₂

SMILES

COC(CCO)CN

InChI

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

InChIKey

LHIBRNSDFBVNGT-UHFFFAOYSA-N

Compound name

4-amino-3-methoxybutan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 119.09463 Da
Monoisotopic Mass: -1.1
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	132.7
[M+NH4]+	137.12845	131.6
[M+K]+	158.05779	128.8
[M-H]-	118.08735	123.3
[M+Na-2H]-	140.06930	127.0
[M]+	119.09408	124.8
[M]-	119.09518	124.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.