CID 31279

Diallylamine

Structural Information

Molecular Formula

C₆H₁₁N

SMILES

C=CCNCC=C

InChI

InChI=1S/C6H11N/c1-3-5-7-6-4-2/h3-4,7H,1-2,5-6H2

InChIKey

DYUWTXWIYMHBQS-UHFFFAOYSA-N

Compound name

N-prop-2-enylprop-2-en-1-amine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 14
References: 36030
Patents: 97.08915 Da
Monoisotopic Mass: 1.1
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]+	98.096426	120.6
[M+Na]+	120.07837	130.9
[M+NH4]+	115.12297	128.9
[M+K]+	136.05231	124.2
[M-H]-	96.081874	121.0
[M+Na-2H]-	118.06382	125.2
[M]+	97.088601	121.9
[M]-	97.089699	121.9

Literature stripe

literature stripe

Patent stripe

patents stripe