CID 5364149

N,n'-dimethyl-2-butene-1,4-diamine

Structural Information

Molecular Formula

C₆H₁₄N₂

SMILES

CNC/C=C/CNC

InChI

InChI=1S/C6H14N2/c1-7-5-3-4-6-8-2/h3-4,7-8H,5-6H2,1-2H3/b4-3+

InChIKey

QXDVFQAKOKIPCM-ONEGZZNKSA-N

Compound name

(E)-N,N'-dimethylbut-2-ene-1,4-diamine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 156
Patents: 114.1157 Da
Monoisotopic Mass: -0.3
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]+	115.122976	125.4
[M+Na]+	137.104918	131.2
[M-H]-	113.108424	125.6
[M+NH4]+	132.149523	147.7
[M+K]+	153.078858	130.4
[M+H-H2O]+	97.112960	120.3
[M+HCOO]-	159.113901	151.4
[M+CH3COO]-	173.129551	175.2
[M+Na-2H]-	135.090366	132.9
[M]+	114.11515142	124.3
[M]-	114.11624858	124.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe