CID 110778

6105-72-2

Structural Information

Molecular Formula

C₆H₁₆N₂

SMILES

CC(CN)CN(C)C

InChI

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

InChIKey

DAMJSIMZZSEQRD-UHFFFAOYSA-N

Compound name

N',N',2-trimethylpropane-1,3-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 156
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	126.8
[M+Na]+	139.12057	135.3
[M+NH4]+	134.16517	135.1
[M+K]+	155.09451	130.7
[M-H]-	115.12407	127.8
[M+Na-2H]-	137.10602	130.7
[M]+	116.13080	128.0
[M]-	116.13190	128.0

Literature stripe

literature stripe

Patent stripe

patents stripe