CID 835494

125080-93-5

Structural Information

Molecular Formula

C₁₄H₁₈N₂O

SMILES

CC(=O)NC1=C2CCCC2=NC3=C1CCCC3

InChI

InChI=1S/C14H18N2O/c1-9(17)15-14-10-5-2-3-7-12(10)16-13-8-4-6-11(13)14/h2-8H2,1H3,(H,15,16,17)

InChIKey

JHNTWXAOTQSWPG-UHFFFAOYSA-N

Compound name

N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 230.1419 Da
Monoisotopic Mass: 1.9
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]+	231.149176	152.1
[M+Na]+	253.131118	157.9
[M-H]-	229.134624	155.3
[M+NH4]+	248.175723	172.2
[M+K]+	269.105058	154.2
[M+H-H2O]+	213.139160	145.0
[M+HCOO]-	275.140101	170.2
[M+CH3COO]-	289.155751	163.4
[M+Na-2H]-	251.116566	156.0
[M]+	230.14135142	148.3
[M]-	230.14244858	148.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.