CID 78261

1,2,4,5-benzenetetraamine tetrahydrochloride

Structural Information

Molecular Formula

C₆H₁₀N₄

SMILES

C1=C(C(=CC(=C1N)N)N)N

InChI

InChI=1S/C6H10N4/c7-3-1-4(8)6(10)2-5(3)9/h1-2H,7-10H2

InChIKey

ANUAIBBBDSEVKN-UHFFFAOYSA-N

Compound name

benzene-1,2,4,5-tetramine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 36
References: 3337
Patents: 138.09055 Da
Monoisotopic Mass: -0.8
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]+	139.097826	126.6
[M+Na]+	161.079768	134.8
[M-H]-	137.083274	129.5
[M+NH4]+	156.124373	146.6
[M+K]+	177.053708	132.2
[M+H-H2O]+	121.087810	120.6
[M+HCOO]-	183.088751	153.5
[M+CH3COO]-	197.104401	183.6
[M+Na-2H]-	159.065216	131.0
[M]+	138.09000142	119.6
[M]-	138.09109858	119.6

Literature stripe

literature stripe

Patent stripe

patents stripe