CID 222375

2-chloro-n-octylacetamide

Structural Information

Molecular Formula

C₁₀H₂₀ClNO

SMILES

CCCCCCCCNC(=O)CCl

InChI

InChI=1S/C10H20ClNO/c1-2-3-4-5-6-7-8-12-10(13)9-11/h2-9H2,1H3,(H,12,13)

InChIKey

RJTYTPKXNAFDHK-UHFFFAOYSA-N

Compound name

2-chloro-N-octylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 205.12334 Da
Monoisotopic Mass: 3.6
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]+	206.13062	147.6
[M+Na]+	228.11256	157.2
[M+NH4]+	223.15716	155.1
[M+K]+	244.08650	150.1
[M-H]-	204.11606	147.4
[M+Na-2H]-	226.09801	150.6
[M]+	205.12279	148.9
[M]-	205.12389	148.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe