CID 14203944

N-allyl-2-chloropropanamide

Structural Information

Molecular Formula

C₆H₁₀ClNO

SMILES

CC(C(=O)NCC=C)Cl

InChI

InChI=1S/C6H10ClNO/c1-3-4-8-6(9)5(2)7/h3,5H,1,4H2,2H3,(H,8,9)

InChIKey

IGQVZORBBWSCKH-UHFFFAOYSA-N

Compound name

2-chloro-N-prop-2-enylpropanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 147.04509 Da
Monoisotopic Mass: 1.2
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]+	148.05237	129.5
[M+Na]+	170.03431	139.6
[M+NH4]+	165.07891	137.3
[M+K]+	186.00825	134.2
[M-H]-	146.03781	129.0
[M+Na-2H]-	168.01976	133.1
[M]+	147.04454	130.8
[M]-	147.04564	130.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe