CID 85862

15520-10-2

Structural Information

Molecular Formula

C₆H₁₆N₂

SMILES

CC(CCCN)CN

InChI

InChI=1S/C6H16N2/c1-6(5-8)3-2-4-7/h6H,2-5,7-8H2,1H3

InChIKey

JZUHIOJYCPIVLQ-UHFFFAOYSA-N

Compound name

2-methylpentane-1,5-diamine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 3
References: 40415
Patents: 116.13135 Da
Monoisotopic Mass: -0.1
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]+	117.13863	126.3
[M+Na]+	139.12057	134.3
[M+NH4]+	134.16517	134.2
[M+K]+	155.09451	129.4
[M-H]-	115.12407	126.8
[M+Na-2H]-	137.10602	129.5
[M]+	116.13080	127.1
[M]-	116.13190	127.1

Literature stripe

literature stripe

Patent stripe

patents stripe