CID 170751

45024-21-3

Structural Information

Molecular Formula

C₁₀H₂₄N₂

SMILES

CC(CCCCN)CCCCN

InChI

InChI=1S/C10H24N2/c1-10(6-2-4-8-11)7-3-5-9-12/h10H,2-9,11-12H2,1H3

InChIKey

MBRGOFWKNLPACT-UHFFFAOYSA-N

Compound name

5-methylnonane-1,9-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8479
Patents: 172.19395 Da
Monoisotopic Mass: 1.7
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]+	173.20123	146.3
[M+Na]+	195.18317	149.9
[M-H]-	171.18667	144.8
[M+NH4]+	190.22777	165.7
[M+K]+	211.15711	148.3
[M+H-H2O]+	155.19121	140.3
[M+HCOO]-	217.19215	168.5
[M+CH3COO]-	231.20780	188.5
[M+Na-2H]-	193.16862	148.2
[M]+	172.19340	144.7
[M]-	172.19450	144.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe