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: 30
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	127.2
[M+Na]+	139.12057	133.2
[M-H]-	115.12407	127.1
[M+NH4]+	134.16517	149.2
[M+K]+	155.09451	132.9
[M+H-H2O]+	99.128610	122.7
[M+HCOO]-	161.12955	150.8
[M+CH3COO]-	175.14520	176.5
[M+Na-2H]-	137.10602	134.1
[M]+	116.13080	125.3
[M]-	116.13190	125.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe