CID 204875

Izoverin

Structural Information

Molecular Formula

C₁₀H₂₄N₂

SMILES

CC(C)CCNCCCCCN

InChI

InChI=1S/C10H24N2/c1-10(2)6-9-12-8-5-3-4-7-11/h10,12H,3-9,11H2,1-2H3

InChIKey

YJPZNMGMIWIVPG-UHFFFAOYSA-N

Compound name

N'-(3-methylbutyl)pentane-1,5-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 172.19395 Da
Monoisotopic Mass: 1.6
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	144.1
[M+Na]+	195.18317	151.6
[M+NH4]+	190.22777	151.5
[M+K]+	211.15711	145.5
[M-H]-	171.18667	144.6
[M+Na-2H]-	193.16862	146.7
[M]+	172.19340	144.9
[M]-	172.19450	144.9

Literature stripe

literature stripe

Patent stripe

patents stripe