CID 39869829

2-chloro-n-cyclopropyl-n-ethylacetamide

Structural Information

Molecular Formula

C₇H₁₂ClNO

SMILES

CCN(C1CC1)C(=O)CCl

InChI

InChI=1S/C7H12ClNO/c1-2-9(6-3-4-6)7(10)5-8/h6H,2-5H2,1H3

InChIKey

JLNXWMRRAHPQKS-UHFFFAOYSA-N

Compound name

2-chloro-N-cyclopropyl-N-ethylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 161.06075 Da
Monoisotopic Mass: 1.3
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]+	162.06803	130.6
[M+Na]+	184.04997	142.5
[M+NH4]+	179.09457	139.8
[M+K]+	200.02391	138.4
[M-H]-	160.05347	138.9
[M+Na-2H]-	182.03542	138.5
[M]+	161.06020	135.8
[M]-	161.06130	135.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe