CID 10888603

1h,2h,3h-pyrrolo[3,4-b]quinolin-3-one

Structural Information

Molecular Formula

C₁₁H₈N₂O

SMILES

C1C2=CC3=CC=CC=C3N=C2C(=O)N1

InChI

InChI=1S/C11H8N2O/c14-11-10-8(6-12-11)5-7-3-1-2-4-9(7)13-10/h1-5H,6H2,(H,12,14)

InChIKey

IPXZMXGCEORBNJ-UHFFFAOYSA-N

Compound name

1,2-dihydropyrrolo[3,4-b]quinolin-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 184.06366 Da
Monoisotopic Mass: 1.4
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]+	185.07094	136.9
[M+Na]+	207.05288	147.0
[M-H]-	183.05638	138.7
[M+NH4]+	202.09748	157.4
[M+K]+	223.02682	142.0
[M+H-H2O]+	167.06092	130.0
[M+HCOO]-	229.06186	156.2
[M+CH3COO]-	243.07751	150.0
[M+Na-2H]-	205.03833	144.6
[M]+	184.06311	135.1
[M]-	184.06421	135.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.