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: 13
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	130.1
[M+Na]+	170.03431	137.4
[M-H]-	146.03781	130.4
[M+NH4]+	165.07891	152.0
[M+K]+	186.00825	135.0
[M+H-H2O]+	130.04235	126.5
[M+HCOO]-	192.04329	149.0
[M+CH3COO]-	206.05894	177.0
[M+Na-2H]-	168.01976	134.4
[M]+	147.04454	131.0
[M]-	147.04564	131.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe