CID 4592518

N-tert-butyl-4-chlorobutanamide

Structural Information

Molecular Formula

C₈H₁₆ClNO

SMILES

CC(C)(C)NC(=O)CCCCl

InChI

InChI=1S/C8H16ClNO/c1-8(2,3)10-7(11)5-4-6-9/h4-6H2,1-3H3,(H,10,11)

InChIKey

QCDJWWBIBDDMEE-UHFFFAOYSA-N

Compound name

N-tert-butyl-4-chlorobutanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 177.09204 Da
Monoisotopic Mass: 1.4
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	139.8
[M+Na]+	200.08126	149.4
[M+NH4]+	195.12586	147.4
[M+K]+	216.05520	144.0
[M-H]-	176.08476	139.0
[M+Na-2H]-	198.06671	143.1
[M]+	177.09149	141.0
[M]-	177.09259	141.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe