CID 18771136

1211540-79-2

Structural Information

Molecular Formula

C₇H₈N₂

SMILES

C1CNC2=C1N=CC=C2

InChI

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

InChIKey

JKWQHCSGMTWRIQ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1315
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