CID 18365378

1432681-13-4

Structural Information

Molecular Formula

C₇H₈N₂

SMILES

C1CNC2=C1C=CN=C2

InChI

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

InChIKey

JIEZEWWXWYGFRD-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 531
Patents: 120.06875 Da
Monoisotopic Mass: 0.9
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	121.8
[M+Na]+	143.05797	130.2
[M-H]-	119.06147	122.2
[M+NH4]+	138.10257	143.6
[M+K]+	159.03191	127.4
[M+H-H2O]+	103.06601	115.2
[M+HCOO]-	165.06695	142.3
[M+CH3COO]-	179.08260	135.4
[M+Na-2H]-	141.04342	130.2
[M]+	120.06820	118.3
[M]-	120.06930	118.3

Literature stripe

literature stripe

Patent stripe

patents stripe