CID 67043428

1,4-oxazepane-6-carboxylic acid hydrochloride

Structural Information

Molecular Formula

C₆H₁₁NO₃

SMILES

C1COCC(CN1)C(=O)O

InChI

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

InChIKey

TTXOHZXEGLCPJS-UHFFFAOYSA-N

Compound name

1,4-oxazepane-6-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 145.0739 Da
Monoisotopic Mass: -3.3
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	124.0
[M+Na]+	168.06312	126.8
[M-H]-	144.06662	124.6
[M+NH4]+	163.10772	139.5
[M+K]+	184.03706	131.2
[M+H-H2O]+	128.07116	118.0
[M+HCOO]-	190.07210	139.3
[M+CH3COO]-	204.08775	169.5
[M+Na-2H]-	166.04857	129.4
[M]+	145.07335	115.9
[M]-	145.07445	115.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe