CID 33751364

N-benzyl-2-chloro-n-cyclopropylacetamide

Structural Information

Molecular Formula

C₁₂H₁₄ClNO

SMILES

C1CC1N(CC2=CC=CC=C2)C(=O)CCl

InChI

InChI=1S/C12H14ClNO/c13-8-12(15)14(11-6-7-11)9-10-4-2-1-3-5-10/h1-5,11H,6-9H2

InChIKey

QYVHZDXCXHVJKO-UHFFFAOYSA-N

Compound name

N-benzyl-2-chloro-N-cyclopropylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 223.07639 Da
Monoisotopic Mass: 2.4
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]+	224.08367	147.7
[M+Na]+	246.06561	161.6
[M+NH4]+	241.11021	157.4
[M+K]+	262.03955	155.8
[M-H]-	222.06911	158.6
[M+Na-2H]-	244.05106	158.3
[M]+	223.07584	154.1
[M]-	223.07694	154.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe