CID 57640201

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

Structural Information

Molecular Formula

C₇H₁₆N₂O

SMILES

C1CN(CCOC1)CCN

InChI

InChI=1S/C7H16N2O/c8-2-4-9-3-1-6-10-7-5-9/h1-8H2

InChIKey

OKIPJNZTHGXISP-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 47
Patents: 144.12627 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]+	145.13355	127.4
[M+Na]+	167.11549	129.9
[M-H]-	143.11899	129.8
[M+NH4]+	162.16009	144.0
[M+K]+	183.08943	134.4
[M+H-H2O]+	127.12353	120.4
[M+HCOO]-	189.12447	145.9
[M+CH3COO]-	203.14012	177.3
[M+Na-2H]-	165.10094	133.6
[M]+	144.12572	120.1
[M]-	144.12682	120.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe