CID 38073

N-butylhexane-1,6-diamine

Structural Information

Molecular Formula

C₁₀H₂₄N₂

SMILES

CCCCNCCCCCCN

InChI

InChI=1S/C10H24N2/c1-2-3-9-12-10-7-5-4-6-8-11/h12H,2-11H2,1H3

InChIKey

IQDWESONKRVAER-UHFFFAOYSA-N

Compound name

N'-butylhexane-1,6-diamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 193
Patents: 172.19395 Da
Monoisotopic Mass: 1.5
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	144.8
[M+Na]+	195.18317	148.6
[M-H]-	171.18667	143.6
[M+NH4]+	190.22777	164.4
[M+K]+	211.15711	146.9
[M+H-H2O]+	155.19121	138.7
[M+HCOO]-	217.19215	168.6
[M+CH3COO]-	231.20780	188.4
[M+Na-2H]-	193.16862	149.1
[M]+	172.19340	144.9
[M]-	172.19450	144.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe