CID 226843

89379-40-8

Structural Information

Molecular Formula

C₆H₁₆N₂

SMILES

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

InChI

InChI=1S/C6H16N2/c1-6(2,7)5-8(3)4/h5,7H2,1-4H3

InChIKey

IRNAEDHJBNPCEZ-UHFFFAOYSA-N

Compound name

1-N,1-N,2-trimethylpropane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 459
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	126.5
[M+Na]+	139.12057	135.1
[M+NH4]+	134.16517	134.7
[M+K]+	155.09451	130.9
[M-H]-	115.12407	127.1
[M+Na-2H]-	137.10602	130.7
[M]+	116.13080	127.7
[M]-	116.13190	127.7

Literature stripe

literature stripe

Patent stripe

patents stripe