CID 10638

Luminol

Structural Information

Molecular Formula

C₈H₇N₃O₂

SMILES

C1=CC2=C(C(=C1)N)C(=O)NNC2=O

InChI

InChI=1S/C8H7N3O2/c9-5-3-1-2-4-6(5)8(13)11-10-7(4)12/h1-3H,9H2,(H,10,12)(H,11,13)

InChIKey

HWYHZTIRURJOHG-UHFFFAOYSA-N

Compound name

5-amino-2,3-dihydrophthalazine-1,4-dione

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 3614
References: 101367
Patents: 177.05383 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]+	178.06111	133.5
[M+Na]+	200.04305	144.5
[M-H]-	176.04655	133.4
[M+NH4]+	195.08765	150.6
[M+K]+	216.01699	139.3
[M+H-H2O]+	160.05109	127.0
[M+HCOO]-	222.05203	153.9
[M+CH3COO]-	236.06768	176.7
[M+Na-2H]-	198.02850	141.8
[M]+	177.05328	130.2
[M]-	177.05438	130.2

Literature stripe

literature stripe

Patent stripe

patents stripe