CID 10630734

205041-15-2

Structural Information

Molecular Formula

C₉H₁₈N₂

SMILES

C=CCNCCCNCC=C

InChI

InChI=1S/C9H18N2/c1-3-6-10-8-5-9-11-7-4-2/h3-4,10-11H,1-2,5-9H2

InChIKey

AXZLGJYOBMKFHV-UHFFFAOYSA-N

Compound name

N,N'-bis(prop-2-enyl)propane-1,3-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 188
Patents: 154.147 Da
Monoisotopic Mass: 1.0
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]+	155.154276	137.2
[M+Na]+	177.136218	142.0
[M-H]-	153.139724	136.9
[M+NH4]+	172.180823	157.7
[M+K]+	193.110158	139.7
[M+H-H2O]+	137.144260	131.5
[M+HCOO]-	199.145201	162.4
[M+CH3COO]-	213.160851	184.2
[M+Na-2H]-	175.121666	143.2
[M]+	154.14645142	136.6
[M]-	154.14754858	136.6

Literature stripe

literature stripe

Patent stripe

patents stripe