CID 20441630

2-chloro-n-pentylpropanamide

Structural Information

Molecular Formula

C₈H₁₆ClNO

SMILES

CCCCCNC(=O)C(C)Cl

InChI

InChI=1S/C8H16ClNO/c1-3-4-5-6-10-8(11)7(2)9/h7H,3-6H2,1-2H3,(H,10,11)

InChIKey

AZUPPPMDDSIBPP-UHFFFAOYSA-N

Compound name

2-chloro-N-pentylpropanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 177.09204 Da
Monoisotopic Mass: 2.4
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]+	178.09932	140.8
[M+Na]+	200.08126	147.1
[M-H]-	176.08476	140.8
[M+NH4]+	195.12586	161.7
[M+K]+	216.05520	144.8
[M+H-H2O]+	160.08930	136.7
[M+HCOO]-	222.09024	159.0
[M+CH3COO]-	236.10589	183.9
[M+Na-2H]-	198.06671	144.0
[M]+	177.09149	143.2
[M]-	177.09259	143.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe