CID 2384361

2-chloro-n-(cyclopropylmethyl)-n-propylacetamide

Structural Information

Molecular Formula

C₉H₁₆ClNO

SMILES

CCCN(CC1CC1)C(=O)CCl

InChI

InChI=1S/C9H16ClNO/c1-2-5-11(9(12)6-10)7-8-3-4-8/h8H,2-7H2,1H3

InChIKey

HBRDBSOOZIZPIC-UHFFFAOYSA-N

Compound name

2-chloro-N-(cyclopropylmethyl)-N-propylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 189.09204 Da
Monoisotopic Mass: 2.0
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]+	190.099316	140.7
[M+Na]+	212.081258	148.6
[M-H]-	188.084764	146.1
[M+NH4]+	207.125863	156.8
[M+K]+	228.055198	145.8
[M+H-H2O]+	172.089300	135.0
[M+HCOO]-	234.090241	160.5
[M+CH3COO]-	248.105891	191.0
[M+Na-2H]-	210.066706	144.7
[M]+	189.09149142	146.4
[M]-	189.09258858	146.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.