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: 12
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]+	232.133206	153.0
[M+Na]+	254.115148	160.2
[M-H]-	230.118654	156.6
[M+NH4]+	249.159753	174.1
[M+K]+	270.089088	155.8
[M+H-H2O]+	214.123190	146.3
[M+HCOO]-	276.124131	170.0
[M+CH3COO]-	290.139781	164.6
[M+Na-2H]-	252.100596	157.1
[M]+	231.12538142	148.5
[M]-	231.12647858	148.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe