CID 24710380

2-chloro-n,n-bis(prop-2-en-1-yl)propanamide

Structural Information

Molecular Formula

C₉H₁₄ClNO

SMILES

CC(C(=O)N(CC=C)CC=C)Cl

InChI

InChI=1S/C9H14ClNO/c1-4-6-11(7-5-2)9(12)8(3)10/h4-5,8H,1-2,6-7H2,3H3

InChIKey

MDULRZHSTPYALN-UHFFFAOYSA-N

Compound name

2-chloro-N,N-bis(prop-2-enyl)propanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 187.07639 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]+	188.083666	141.9
[M+Na]+	210.065608	148.5
[M-H]-	186.069114	143.3
[M+NH4]+	205.110213	162.8
[M+K]+	226.039548	146.1
[M+H-H2O]+	170.073650	137.6
[M+HCOO]-	232.074591	160.6
[M+CH3COO]-	246.090241	188.6
[M+Na-2H]-	208.051056	144.0
[M]+	187.07584142	144.6
[M]-	187.07693858	144.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.