CID 53632436

3-amino-4-methoxybutan-1-ol

Structural Information

Molecular Formula

C₅H₁₃NO₂

SMILES

COCC(CCO)N

InChI

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

InChIKey

RJJKIMBTZBWVMC-UHFFFAOYSA-N

Compound name

3-amino-4-methoxybutan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
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]+	120.101906	126.0
[M+Na]+	142.083848	132.0
[M-H]-	118.087354	124.4
[M+NH4]+	137.128453	147.2
[M+K]+	158.057788	132.1
[M+H-H2O]+	102.091890	121.2
[M+HCOO]-	164.092831	148.4
[M+CH3COO]-	178.108481	170.4
[M+Na-2H]-	140.069296	130.8
[M]+	119.09408142	125.3
[M]-	119.09517858	125.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe