CID 89521

2,4-pentanediamine, 2-methyl-

Structural Information

Molecular Formula

C₆H₁₆N₂

SMILES

CC(CC(C)(C)N)N

InChI

InChI=1S/C6H16N2/c1-5(7)4-6(2,3)8/h5H,4,7-8H2,1-3H3

InChIKey

PCXAQLMRLMZKRL-UHFFFAOYSA-N

Compound name

2-methylpentane-2,4-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 331
Patents: 116.13135 Da
Monoisotopic Mass: -0.2
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]+	117.138626	128.0
[M+Na]+	139.120568	133.7
[M-H]-	115.124074	127.5
[M+NH4]+	134.165173	149.7
[M+K]+	155.094508	133.5
[M+H-H2O]+	99.128610	123.5
[M+HCOO]-	161.129551	149.9
[M+CH3COO]-	175.145201	176.6
[M+Na-2H]-	137.106016	132.5
[M]+	116.13080142	124.3
[M]-	116.13189858	124.3

Literature stripe

literature stripe

Patent stripe

patents stripe