CID 76968

N-sec-butylethylenediamine

Structural Information

Molecular Formula

C₆H₁₆N₂

SMILES

CC(C)CNCCN

InChI

InChI=1S/C6H16N2/c1-6(2)5-8-4-3-7/h6,8H,3-5,7H2,1-2H3

InChIKey

RJCXIVJEQLXULD-UHFFFAOYSA-N

Compound name

N'-(2-methylpropyl)ethane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 906
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]+	117.13863	128.0
[M+Na]+	139.12057	133.2
[M-H]-	115.12407	127.7
[M+NH4]+	134.16517	149.8
[M+K]+	155.09451	133.0
[M+H-H2O]+	99.128610	122.8
[M+HCOO]-	161.12955	152.1
[M+CH3COO]-	175.14520	177.0
[M+Na-2H]-	137.10602	133.0
[M]+	116.13080	125.9
[M]-	116.13190	125.9

Literature stripe

literature stripe

Patent stripe

patents stripe