CID 7157

Allidochlor

Structural Information

Molecular Formula

C₈H₁₂ClNO

SMILES

C=CCN(CC=C)C(=O)CCl

InChI

InChI=1S/C8H12ClNO/c1-3-5-10(6-4-2)8(11)7-9/h3-4H,1-2,5-7H2

InChIKey

MDBGGTQNNUOQRC-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 37
References: 13413
Patents: 173.06075 Da
Monoisotopic Mass: 1.6
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]+	174.06803	137.2
[M+Na]+	196.04997	147.4
[M+NH4]+	191.09457	144.7
[M+K]+	212.02391	141.1
[M-H]-	172.05347	136.9
[M+Na-2H]-	194.03542	140.7
[M]+	173.06020	138.5
[M]-	173.06130	138.5

Literature stripe

literature stripe

Patent stripe

patents stripe