CID 10849

Diallylcyanamide

Structural Information

Molecular Formula

C₇H₁₀N₂

SMILES

C=CCN(CC=C)C#N

InChI

InChI=1S/C7H10N2/c1-3-5-9(7-8)6-4-2/h3-4H,1-2,5-6H2

InChIKey

ZOSAYFDMPYAZTB-UHFFFAOYSA-N

Compound name

bis(prop-2-enyl)cyanamide

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 642
Patents: 122.0844 Da
Monoisotopic Mass: 1.8
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]+	123.09168	125.7
[M+Na]+	145.07362	134.2
[M-H]-	121.07712	127.7
[M+NH4]+	140.11822	146.2
[M+K]+	161.04756	133.6
[M+H-H2O]+	105.08166	114.1
[M+HCOO]-	167.08260	147.4
[M+CH3COO]-	181.09825	190.6
[M+Na-2H]-	143.05907	131.6
[M]+	122.08385	121.4
[M]-	122.08495	121.4

Literature stripe

literature stripe

Patent stripe

patents stripe