CID 50988895

2-chloro-n-{1,4-dioxaspiro[4.5]decan-8-yl}acetamide

Structural Information

Molecular Formula

C₁₀H₁₆ClNO₃

SMILES

C1CC2(CCC1NC(=O)CCl)OCCO2

InChI

InChI=1S/C10H16ClNO3/c11-7-9(13)12-8-1-3-10(4-2-8)14-5-6-15-10/h8H,1-7H2,(H,12,13)

InChIKey

SXWDERBJDCRJQN-UHFFFAOYSA-N

Compound name

2-chloro-N-(1,4-dioxaspiro[4.5]decan-8-yl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 233.08188 Da
Monoisotopic Mass: 0.9
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]+	234.089156	151.8
[M+Na]+	256.071098	156.5
[M-H]-	232.074604	157.5
[M+NH4]+	251.115703	171.0
[M+K]+	272.045038	155.8
[M+H-H2O]+	216.079140	147.1
[M+HCOO]-	278.080081	165.3
[M+CH3COO]-	292.095731	186.0
[M+Na-2H]-	254.056546	156.6
[M]+	233.08133142	149.5
[M]-	233.08242858	149.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.