CID 7935

M-phenylenediamine

Structural Information

Molecular Formula

C₆H₈N₂

SMILES

C1=CC(=CC(=C1)N)N

InChI

InChI=1S/C6H8N2/c7-5-2-1-3-6(8)4-5/h1-4H,7-8H2

InChIKey

WZCQRUWWHSTZEM-UHFFFAOYSA-N

Compound name

benzene-1,3-diamine

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 321
References: 58175
Patents: 108.06875 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]+	109.07603	118.6
[M+Na]+	131.05797	130.4
[M+NH4]+	126.10257	128.0
[M+K]+	147.03191	124.5
[M-H]-	107.06147	122.3
[M+Na-2H]-	129.04342	126.4
[M]+	108.06820	121.1
[M]-	108.06930	121.1

Literature stripe

literature stripe

Patent stripe

patents stripe