CID 6392687

1,4-diamino-2-butene

Structural Information

Molecular Formula

C₄H₁₀N₂

SMILES

C(/C=C/CN)N

InChI

InChI=1S/C4H10N2/c5-3-1-2-4-6/h1-2H,3-6H2/b2-1+

InChIKey

FPYGTMVTDDBHRP-OWOJBTEDSA-N

Compound name

(E)-but-2-ene-1,4-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 331
Patents: 86.0844 Da
Monoisotopic Mass: -1.3
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]+	87.091676	116.1
[M+Na]+	109.07362	124.9
[M+NH4]+	104.11822	124.2
[M+K]+	125.04756	119.7
[M-H]-	85.077124	116.7
[M+Na-2H]-	107.05907	120.1
[M]+	86.083851	117.1
[M]-	86.084949	117.1

Literature stripe

literature stripe

Patent stripe

patents stripe