CID 24250

1,8-diaminooctane

Structural Information

Molecular Formula

C₈H₂₀N₂

SMILES

C(CCCCN)CCCN

InChI

InChI=1S/C8H20N2/c9-7-5-3-1-2-4-6-8-10/h1-10H2

InChIKey

PWGJDPKCLMLPJW-UHFFFAOYSA-N

Compound name

octane-1,8-diamine

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 44
References: 57602
Patents: 144.16264 Da
Monoisotopic Mass: 0.9
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]+	145.16992	136.0
[M+Na]+	167.15186	140.7
[M-H]-	143.15536	134.7
[M+NH4]+	162.19646	156.5
[M+K]+	183.12580	139.1
[M+H-H2O]+	127.15990	130.4
[M+HCOO]-	189.16084	159.9
[M+CH3COO]-	203.17649	181.6
[M+Na-2H]-	165.13731	140.3
[M]+	144.16209	134.3
[M]-	144.16319	134.3

Literature stripe

literature stripe

Patent stripe

patents stripe