CID 3075535

184761-07-7

Structural Information

Molecular Formula

C₁₂H₁₆N₂O₂

SMILES

CCCOC1=C(C=C2CCCC2=N1)C(=O)N

InChI

InChI=1S/C12H16N2O2/c1-2-6-16-12-9(11(13)15)7-8-4-3-5-10(8)14-12/h7H,2-6H2,1H3,(H2,13,15)

InChIKey

HSNJNXYPFUPBFO-UHFFFAOYSA-N

Compound name

2-propoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 220.12119 Da
Monoisotopic Mass: 1.6
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]+	221.128466	149.4
[M+Na]+	243.110408	156.6
[M-H]-	219.113914	152.0
[M+NH4]+	238.155013	168.9
[M+K]+	259.084348	154.0
[M+H-H2O]+	203.118450	142.6
[M+HCOO]-	265.119391	170.9
[M+CH3COO]-	279.135041	191.3
[M+Na-2H]-	241.095856	152.5
[M]+	220.12064142	149.5
[M]-	220.12173858	149.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.