CID 71212150

1447606-13-4

Structural Information

Molecular Formula

C₁₄H₁₇NO₂

SMILES

COC1=CC2=C(C=C1)C(=O)C3(C2)CCNCC3

InChI

InChI=1S/C14H17NO2/c1-17-11-2-3-12-10(8-11)9-14(13(12)16)4-6-15-7-5-14/h2-3,8,15H,4-7,9H2,1H3

InChIKey

LQAWCNXOMNNZQK-UHFFFAOYSA-N

Compound name

5-methoxyspiro[3H-indene-2,4'-piperidine]-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 231.12593 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]+	232.13321	153.0
[M+Na]+	254.11515	160.2
[M-H]-	230.11865	156.6
[M+NH4]+	249.15975	174.1
[M+K]+	270.08909	155.8
[M+H-H2O]+	214.12319	146.3
[M+HCOO]-	276.12413	170.0
[M+CH3COO]-	290.13978	164.6
[M+Na-2H]-	252.10060	157.1
[M]+	231.12538	148.5
[M]-	231.12648	148.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe