CID 15209943

N-methyl-n-pentylcarbamoyl chloride

Structural Information

Molecular Formula

C₇H₁₄ClNO

SMILES

CCCCCN(C)C(=O)Cl

InChI

InChI=1S/C7H14ClNO/c1-3-4-5-6-9(2)7(8)10/h3-6H2,1-2H3

InChIKey

OCDPLMCWDJXNTG-UHFFFAOYSA-N

Compound name

N-methyl-N-pentylcarbamoyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 163.07639 Da
Monoisotopic Mass: 2.6
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]+	164.08367	134.2
[M+Na]+	186.06561	144.5
[M+NH4]+	181.11021	142.4
[M+K]+	202.03955	138.7
[M-H]-	162.06911	134.4
[M+Na-2H]-	184.05106	138.2
[M]+	163.07584	135.8
[M]-	163.07694	135.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe