CID 222360

2-chloro-n-pentylacetamide

Structural Information

Molecular Formula

C₇H₁₄ClNO

SMILES

CCCCCNC(=O)CCl

InChI

InChI=1S/C7H14ClNO/c1-2-3-4-5-9-7(10)6-8/h2-6H2,1H3,(H,9,10)

InChIKey

IKXRITWWKPLPOD-UHFFFAOYSA-N

Compound name

2-chloro-N-pentylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 50
Patents: 163.07639 Da
Monoisotopic Mass: 2.0
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]+	164.083666	135.9
[M+Na]+	186.065608	142.7
[M-H]-	162.069114	135.9
[M+NH4]+	181.110213	157.3
[M+K]+	202.039548	140.3
[M+H-H2O]+	146.073650	131.9
[M+HCOO]-	208.074591	155.3
[M+CH3COO]-	222.090241	180.1
[M+Na-2H]-	184.051056	140.9
[M]+	163.07584142	138.5
[M]-	163.07693858	138.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe