CID 3021404

89100-85-6

Structural Information

Molecular Formula

C₁₁H₂₃NO₂

SMILES

C1CCCC(CCC1)OCC(CN)O

InChI

InChI=1S/C11H23NO2/c12-8-10(13)9-14-11-6-4-2-1-3-5-7-11/h10-11,13H,1-9,12H2

InChIKey

WPXCHYJOFMZFSC-UHFFFAOYSA-N

Compound name

1-amino-3-cyclooctyloxypropan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 201.17288 Da
Monoisotopic Mass: 1.4
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]+	202.180156	149.4
[M+Na]+	224.162098	152.2
[M-H]-	200.165604	149.9
[M+NH4]+	219.206703	157.5
[M+K]+	240.136038	152.8
[M+H-H2O]+	184.170140	145.8
[M+HCOO]-	246.171081	157.5
[M+CH3COO]-	260.186731	222.9
[M+Na-2H]-	222.147546	148.7
[M]+	201.17233142	146.8
[M]-	201.17342858	146.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe