CID 13828389

N-butyl-2-chloropropanamide

Structural Information

Molecular Formula

C₇H₁₄ClNO

SMILES

CCCCNC(=O)C(C)Cl

InChI

InChI=1S/C7H14ClNO/c1-3-4-5-9-7(10)6(2)8/h6H,3-5H2,1-2H3,(H,9,10)

InChIKey

JDRABRLBYCLUHX-UHFFFAOYSA-N

Compound name

N-butyl-2-chloropropanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 163.07639 Da
Monoisotopic Mass: 1.8
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]+	164.08367	136.2
[M+Na]+	186.06561	142.8
[M-H]-	162.06911	136.3
[M+NH4]+	181.11021	157.5
[M+K]+	202.03955	140.8
[M+H-H2O]+	146.07365	132.3
[M+HCOO]-	208.07459	154.6
[M+CH3COO]-	222.09024	180.9
[M+Na-2H]-	184.05106	139.9
[M]+	163.07584	138.2
[M]-	163.07694	138.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe