CID 146081979

2408968-92-1

Structural Information

Molecular Formula

C₈H₁₅NO₂

SMILES

C1COC2(CC1(C2)CO)CN

InChI

InChI=1S/C8H15NO2/c9-5-8-3-7(4-8,6-10)1-2-11-8/h10H,1-6,9H2

InChIKey

LFJUUJYCUSTHFF-UHFFFAOYSA-N

Compound name

[1-(aminomethyl)-2-oxabicyclo[3.1.1]heptan-5-yl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 157.11028 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]+	158.11756	133.2
[M+Na]+	180.09950	137.2
[M+NH4]+	175.14410	141.8
[M+K]+	196.07344	130.4
[M-H]-	156.10300	130.1
[M+Na-2H]-	178.08495	131.8
[M]+	157.10973	131.8
[M]-	157.11083	131.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.