CID 736297

2,5-diaminohydroquinone dihydrochloride

Structural Information

Molecular Formula

C₆H₈N₂O₂

SMILES

C1=C(C(=CC(=C1O)N)O)N

InChI

InChI=1S/C6H8N2O2/c7-3-1-5(9)4(8)2-6(3)10/h1-2,9-10H,7-8H2

InChIKey

RLXBOUUYEFOFSW-UHFFFAOYSA-N

Compound name

2,5-diaminobenzene-1,4-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1820
Patents: 140.05858 Da
Monoisotopic Mass: -0.2
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]+	141.065856	125.8
[M+Na]+	163.047798	134.7
[M-H]-	139.051304	127.1
[M+NH4]+	158.092403	145.6
[M+K]+	179.021738	132.0
[M+H-H2O]+	123.055840	120.8
[M+HCOO]-	185.056781	149.5
[M+CH3COO]-	199.072431	173.6
[M+Na-2H]-	161.033246	130.8
[M]+	140.05803142	121.4
[M]-	140.05912858	121.4

Literature stripe

literature stripe

Patent stripe

patents stripe