CID 83672274

1,4-oxazepane-7-carboxylic acid hydrochloride

Structural Information

Molecular Formula

C₆H₁₁NO₃

SMILES

C1CNCCOC1C(=O)O

InChI

InChI=1S/C6H11NO3/c8-6(9)5-1-2-7-3-4-10-5/h5,7H,1-4H2,(H,8,9)

InChIKey

ITRSUFTVVQAKQI-UHFFFAOYSA-N

Compound name

1,4-oxazepane-7-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 145.0739 Da
Monoisotopic Mass: -2.9
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]+	146.08118	128.2
[M+Na]+	168.06312	135.3
[M+NH4]+	163.10772	134.1
[M+K]+	184.03706	133.9
[M-H]-	144.06662	128.2
[M+Na-2H]-	166.04857	131.0
[M]+	145.07335	128.8
[M]-	145.07445	128.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe