CID 22924906

947664-21-3

Structural Information

Molecular Formula

C₆H₁₅NO₂

SMILES

CC(C)(COCCN)O

InChI

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

InChIKey

OCIUCYULLWFAGH-UHFFFAOYSA-N

Compound name

1-(2-aminoethoxy)-2-methylpropan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 359
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]+	134.11756	130.0
[M+Na]+	156.09950	136.4
[M-H]-	132.10300	128.5
[M+NH4]+	151.14410	150.9
[M+K]+	172.07344	136.1
[M+H-H2O]+	116.10754	125.8
[M+HCOO]-	178.10848	151.6
[M+CH3COO]-	192.12413	172.9
[M+Na-2H]-	154.08495	136.3
[M]+	133.10973	129.9
[M]-	133.11083	129.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe