CID 66916273

2408958-62-1

Structural Information

Molecular Formula

C₇H₁₅NO₂

SMILES

CC(C1(CCOCC1)O)N

InChI

InChI=1S/C7H15NO2/c1-6(8)7(9)2-4-10-5-3-7/h6,9H,2-5,8H2,1H3

InChIKey

KWYBBQAUSTWSKF-UHFFFAOYSA-N

Compound name

4-(1-aminoethyl)oxan-4-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 145.11028 Da
Monoisotopic Mass: -0.7
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]+	146.11756	132.3
[M+Na]+	168.09950	136.8
[M-H]-	144.10300	134.1
[M+NH4]+	163.14410	152.8
[M+K]+	184.07344	137.4
[M+H-H2O]+	128.10754	127.6
[M+HCOO]-	190.10848	150.5
[M+CH3COO]-	204.12413	172.4
[M+Na-2H]-	166.08495	138.1
[M]+	145.10973	126.7
[M]-	145.11083	126.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe