CID 2384365

39086-63-0

Structural Information

Molecular Formula

C₁₂H₁₆ClNO

SMILES

CC(C)N(CC1=CC=CC=C1)C(=O)CCl

InChI

InChI=1S/C12H16ClNO/c1-10(2)14(12(15)8-13)9-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3

InChIKey

PMCFTLWMSKQBFS-UHFFFAOYSA-N

Compound name

N-benzyl-2-chloro-N-propan-2-ylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 225.09204 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]+	226.09932	150.9
[M+Na]+	248.08126	157.0
[M-H]-	224.08476	155.4
[M+NH4]+	243.12586	170.2
[M+K]+	264.05520	154.4
[M+H-H2O]+	208.08930	145.1
[M+HCOO]-	270.09024	169.9
[M+CH3COO]-	284.10589	194.7
[M+Na-2H]-	246.06671	154.1
[M]+	225.09149	153.9
[M]-	225.09259	153.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe