CID 15904928

Hex-5-ene-1,2-diamine

Structural Information

Molecular Formula

C₆H₁₄N₂

SMILES

C=CCCC(CN)N

InChI

InChI=1S/C6H14N2/c1-2-3-4-6(8)5-7/h2,6H,1,3-5,7-8H2

InChIKey

RGCMVVXOZMQXJQ-UHFFFAOYSA-N

Compound name

hex-5-ene-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 114.1157 Da
Monoisotopic Mass: -0.1
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]+	115.12298	126.9
[M+Na]+	137.10492	132.4
[M-H]-	113.10842	126.1
[M+NH4]+	132.14952	148.4
[M+K]+	153.07886	131.3
[M+H-H2O]+	97.112960	121.8
[M+HCOO]-	159.11390	150.6
[M+CH3COO]-	173.12955	175.4
[M+Na-2H]-	135.09037	130.9
[M]+	114.11515	123.1
[M]-	114.11625	123.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe