CID 3449313

Diallylcarbamyl chloride

Structural Information

Molecular Formula

C₇H₁₀ClNO

SMILES

C=CCN(CC=C)C(=O)Cl

InChI

InChI=1S/C7H10ClNO/c1-3-5-9(6-4-2)7(8)10/h3-4H,1-2,5-6H2

InChIKey

MGQPJLWKFQNTOZ-UHFFFAOYSA-N

Compound name

N,N-bis(prop-2-enyl)carbamoyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 676
Patents: 159.04509 Da
Monoisotopic Mass: 2.1
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]+	160.052366	132.5
[M+Na]+	182.034308	140.2
[M-H]-	158.037814	134.2
[M+NH4]+	177.078913	154.7
[M+K]+	198.008248	137.9
[M+H-H2O]+	142.042350	128.6
[M+HCOO]-	204.043291	152.9
[M+CH3COO]-	218.058941	181.7
[M+Na-2H]-	180.019756	136.9
[M]+	159.04454142	135.1
[M]-	159.04563858	135.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe