CID 57734375

2613385-77-4

Structural Information

Molecular Formula

C₈H₁₀N₂

SMILES

CC1=CC2=C(CNC2)N=C1

InChI

InChI=1S/C8H10N2/c1-6-2-7-4-9-5-8(7)10-3-6/h2-3,9H,4-5H2,1H3

InChIKey

AEJWFLWIRMSATK-UHFFFAOYSA-N

Compound name

3-methyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 34
Patents: 134.0844 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]+	135.09168	126.8
[M+Na]+	157.07362	139.4
[M+NH4]+	152.11822	136.1
[M+K]+	173.04756	134.5
[M-H]-	133.07712	128.1
[M+Na-2H]-	155.05907	132.8
[M]+	134.08385	128.8
[M]-	134.08495	128.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe