CID 64574355

2-amino-4-methoxy-3-methylbutan-1-ol

Structural Information

Molecular Formula

C₆H₁₅NO₂

SMILES

CC(COC)C(CO)N

InChI

InChI=1S/C6H15NO2/c1-5(4-9-2)6(7)3-8/h5-6,8H,3-4,7H2,1-2H3

InChIKey

NPRHSGSVSVTACX-UHFFFAOYSA-N

Compound name

2-amino-4-methoxy-3-methylbutan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 133.11028 Da
Monoisotopic Mass: -0.7
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]+	134.117556	131.2
[M+Na]+	156.099498	136.7
[M-H]-	132.103004	129.6
[M+NH4]+	151.144103	151.9
[M+K]+	172.073438	136.9
[M+H-H2O]+	116.107540	126.4
[M+HCOO]-	178.108481	152.3
[M+CH3COO]-	192.124131	174.3
[M+Na-2H]-	154.084946	134.2
[M]+	133.10973142	130.3
[M]-	133.11082858	130.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.