CID 79886117

1510760-04-9

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	125.1
[M+Na]+	186.02923	130.3
[M-H]-	162.03273	128.0
[M+NH4]+	181.07383	142.4
[M+K]+	202.00317	133.9
[M+H-H2O]+	146.03727	119.1
[M+HCOO]-	208.03821	138.9
[M+CH3COO]-	222.05386	175.5
[M+Na-2H]-	184.01468	131.2
[M]+	163.03946	120.8
[M]-	163.04056	120.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe