CID 3021402

89100-83-4

Structural Information

Molecular Formula

C₉H₁₉NO₂

SMILES

C1CCC(CC1)OCC(CN)O

InChI

InChI=1S/C9H19NO2/c10-6-8(11)7-12-9-4-2-1-3-5-9/h8-9,11H,1-7,10H2

InChIKey

JEFHQYWOLXLTAO-UHFFFAOYSA-N

Compound name

1-amino-3-cyclohexyloxypropan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 173.14159 Da
Monoisotopic Mass: 0.3
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]+	174.148866	141.0
[M+Na]+	196.130808	143.6
[M-H]-	172.134314	141.4
[M+NH4]+	191.175413	159.5
[M+K]+	212.104748	142.6
[M+H-H2O]+	156.138850	135.0
[M+HCOO]-	218.139791	159.5
[M+CH3COO]-	232.155441	178.9
[M+Na-2H]-	194.116256	143.6
[M]+	173.14104142	135.1
[M]-	173.14213858	135.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe