CID 5365279

111-52-4

Structural Information

Molecular Formula

C₈H₁₈N₂

SMILES

CN(C)C/C=C/CN(C)C

InChI

InChI=1S/C8H18N2/c1-9(2)7-5-6-8-10(3)4/h5-6H,7-8H2,1-4H3/b6-5+

InChIKey

KUEDAAUECWBMLW-AATRIKPKSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 736
Patents: 142.147 Da
Monoisotopic Mass: 0.6
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]+	143.154276	135.1
[M+Na]+	165.136218	140.5
[M-H]-	141.139724	138.0
[M+NH4]+	160.180823	157.6
[M+K]+	181.110158	141.9
[M+H-H2O]+	125.144260	129.3
[M+HCOO]-	187.145201	161.5
[M+CH3COO]-	201.160851	188.5
[M+Na-2H]-	163.121666	140.0
[M]+	142.14645142	137.3
[M]-	142.14754858	137.3

Literature stripe

literature stripe

Patent stripe

patents stripe