CID 1519417

6000-50-6

Structural Information

Molecular Formula

C₇H₈N₂

SMILES

C1C2=C(CN1)C=NC=C2

InChI

InChI=1S/C7H8N2/c1-2-8-4-7-5-9-3-6(1)7/h1-2,4,9H,3,5H2

InChIKey

HIACNNDCIUUION-UHFFFAOYSA-N

Compound name

2,3-dihydro-1H-pyrrolo[3,4-c]pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 621
Patents: 120.06875 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]+	121.07603	122.5
[M+Na]+	143.05797	135.0
[M+NH4]+	138.10257	132.1
[M+K]+	159.03191	130.1
[M-H]-	119.06147	123.8
[M+Na-2H]-	141.04342	129.0
[M]+	120.06820	124.5
[M]-	120.06930	124.5

Literature stripe

literature stripe

Patent stripe

patents stripe