CID 44908

1,8-dimethyl-octane-1,8-diamine dihydrochloride

Structural Information

Molecular Formula

C₁₀H₂₄N₂

SMILES

CC(CCCCCCC(C)N)N

InChI

InChI=1S/C10H24N2/c1-9(11)7-5-3-4-6-8-10(2)12/h9-10H,3-8,11-12H2,1-2H3

InChIKey

CESSPRBRHIRYTN-UHFFFAOYSA-N

Compound name

decane-2,9-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
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	147.5
[M+Na]+	195.18317	150.8
[M-H]-	171.18667	146.0
[M+NH4]+	190.22777	166.7
[M+K]+	211.15711	149.7
[M+H-H2O]+	155.19121	141.5
[M+HCOO]-	217.19215	168.6
[M+CH3COO]-	231.20780	189.4
[M+Na-2H]-	193.16862	147.9
[M]+	172.19340	145.2
[M]-	172.19450	145.2

Literature stripe

literature stripe

Patent stripe

patents stripe