CID 64679326

2089319-75-3

Structural Information

Molecular Formula

C₆H₁₆N₂

SMILES

CC(C)(CCNC)N

InChI

InChI=1S/C6H16N2/c1-6(2,7)4-5-8-3/h8H,4-5,7H2,1-3H3

InChIKey

CEXOTARNUNKHAK-UHFFFAOYSA-N

Compound name

1-N,3-dimethylbutane-1,3-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
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	126.1
[M+Na]+	139.12057	134.5
[M+NH4]+	134.16517	134.1
[M+K]+	155.09451	129.8
[M-H]-	115.12407	126.4
[M+Na-2H]-	137.10602	130.0
[M]+	116.13080	127.1
[M]-	116.13190	127.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe