CID 115660

64011-44-5

Structural Information

Molecular Formula

C₆H₁₅NO₂

SMILES

CC(CC(C)(N)OC)O

InChI

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

InChIKey

BJTHUIGHIKEJLS-UHFFFAOYSA-N

Compound name

4-amino-4-methoxypentan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 133.11028 Da
Monoisotopic Mass: -0.4
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]+	134.11756	130.3
[M+Na]+	156.09950	136.4
[M-H]-	132.10300	128.9
[M+NH4]+	151.14410	151.1
[M+K]+	172.07344	136.6
[M+H-H2O]+	116.10754	126.1
[M+HCOO]-	178.10848	150.8
[M+CH3COO]-	192.12413	173.8
[M+Na-2H]-	154.08495	135.3
[M]+	133.10973	129.5
[M]-	133.11083	129.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.