CID 62972738

2-(1,4-oxazepan-4-yl)ethan-1-ol

Structural Information

Molecular Formula

C₇H₁₅NO₂

SMILES

C1CN(CCOC1)CCO

InChI

InChI=1S/C7H15NO2/c9-5-3-8-2-1-6-10-7-4-8/h9H,1-7H2

InChIKey

HXRWAYUYJONGKT-UHFFFAOYSA-N

Compound name

2-(1,4-oxazepan-4-yl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 145.11028 Da
Monoisotopic Mass: -0.4
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]+	146.11756	125.8
[M+Na]+	168.09950	128.5
[M-H]-	144.10300	127.4
[M+NH4]+	163.14410	142.2
[M+K]+	184.07344	133.0
[M+H-H2O]+	128.10754	119.6
[M+HCOO]-	190.10848	142.7
[M+CH3COO]-	204.12413	172.8
[M+Na-2H]-	166.08495	132.3
[M]+	145.10973	119.7
[M]-	145.11083	119.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe