CID 54592781

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

Structural Information

Molecular Formula

C₆H₁₅NO₂

SMILES

CC(CCOC)(CN)O

InChI

InChI=1S/C6H15NO2/c1-6(8,5-7)3-4-9-2/h8H,3-5,7H2,1-2H3

InChIKey

BSKRKNUPHYNKRU-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 133.11028 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]+	134.117556	130.0
[M+Na]+	156.099498	136.4
[M-H]-	132.103004	128.5
[M+NH4]+	151.144103	150.9
[M+K]+	172.073438	136.1
[M+H-H2O]+	116.107540	125.8
[M+HCOO]-	178.108481	151.6
[M+CH3COO]-	192.124131	172.9
[M+Na-2H]-	154.084946	136.3
[M]+	133.10973142	129.9
[M]-	133.11082858	129.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.