CID 3530565

(r)-boschniakine

Structural Information

Molecular Formula

C₁₀H₁₁NO

SMILES

CC1CCC2=C1C=NC=C2C=O

InChI

InChI=1S/C10H11NO/c1-7-2-3-9-8(6-12)4-11-5-10(7)9/h4-7H,2-3H2,1H3

InChIKey

OPRAONAUWNNOOV-UHFFFAOYSA-N

Compound name

7-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 60
Patents: 161.08406 Da
Monoisotopic Mass: 1.5
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]+	162.09134	132.4
[M+Na]+	184.07328	141.9
[M-H]-	160.07678	135.9
[M+NH4]+	179.11788	155.1
[M+K]+	200.04722	139.2
[M+H-H2O]+	144.08132	126.5
[M+HCOO]-	206.08226	155.0
[M+CH3COO]-	220.09791	178.1
[M+Na-2H]-	182.05873	138.3
[M]+	161.08351	132.8
[M]-	161.08461	132.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe