CID 15338770

53670-57-8

Structural Information

Molecular Formula

C₇H₁₄ClNO

SMILES

CCCCN(CC)C(=O)Cl

InChI

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

InChIKey

GZNVFRIHZRYMFK-UHFFFAOYSA-N

Compound name

N-butyl-N-ethylcarbamoyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 65
Patents: 163.07639 Da
Monoisotopic Mass: 3.1
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	135.5
[M+Na]+	186.06561	142.6
[M-H]-	162.06911	137.1
[M+NH4]+	181.11021	157.6
[M+K]+	202.03955	141.5
[M+H-H2O]+	146.07365	131.4
[M+HCOO]-	208.07459	155.5
[M+CH3COO]-	222.09024	183.6
[M+Na-2H]-	184.05106	139.8
[M]+	163.07584	139.5
[M]-	163.07694	139.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe