CID 18400401

4-ethenyl-1,2-benzenediamine

Structural Information

Molecular Formula

C₈H₁₀N₂

SMILES

C=CC1=CC(=C(C=C1)N)N

InChI

InChI=1S/C8H10N2/c1-2-6-3-4-7(9)8(10)5-6/h2-5H,1,9-10H2

InChIKey

ITTDFJBEARSVPJ-UHFFFAOYSA-N

Compound name

4-ethenylbenzene-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 53
Patents: 134.0844 Da
Monoisotopic Mass: 1.0
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]+	135.091676	126.5
[M+Na]+	157.073618	134.9
[M-H]-	133.077124	129.9
[M+NH4]+	152.118223	147.8
[M+K]+	173.047558	131.9
[M+H-H2O]+	117.081660	121.1
[M+HCOO]-	179.082601	152.4
[M+CH3COO]-	193.098251	178.1
[M+Na-2H]-	155.059066	132.3
[M]+	134.08385142	122.6
[M]-	134.08494858	122.6

Literature stripe

literature stripe

Patent stripe

patents stripe