CID 69533

1,7-diaminoheptane

Structural Information

Molecular Formula

C₇H₁₈N₂

SMILES

C(CCCN)CCCN

InChI

InChI=1S/C7H18N2/c8-6-4-2-1-3-5-7-9/h1-9H2

InChIKey

PWSKHLMYTZNYKO-UHFFFAOYSA-N

Compound name

heptane-1,7-diamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 42
References: 32065
Patents: 130.147 Da
Monoisotopic Mass: 0.3
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]+	131.15428	129.8
[M+Na]+	153.13622	138.0
[M+NH4]+	148.18082	137.7
[M+K]+	169.11016	132.1
[M-H]-	129.13972	130.5
[M+Na-2H]-	151.12167	133.2
[M]+	130.14645	130.8
[M]-	130.14755	130.8

Literature stripe

literature stripe

Patent stripe

patents stripe