CID 79886117

1,4-oxazepane-4-carbonylchloride

Structural Information

Molecular Formula

C₆H₁₀ClNO₂

SMILES

C1CN(CCOC1)C(=O)Cl

InChI

InChI=1S/C6H10ClNO2/c7-6(9)8-2-1-4-10-5-3-8/h1-5H2

InChIKey

AYQXZOBTKKSJAV-UHFFFAOYSA-N

Compound name

1,4-oxazepane-4-carbonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 163.04001 Da
Monoisotopic Mass: 0.8
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]+	164.04729	129.2
[M+Na]+	186.02923	138.6
[M+NH4]+	181.07383	136.6
[M+K]+	202.00317	135.3
[M-H]-	162.03273	130.7
[M+Na-2H]-	184.01468	133.8
[M]+	163.03946	131.0
[M]-	163.04056	131.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe