CID 139512047

2306254-23-7

Structural Information

Molecular Formula

C₁₃H₁₈N₂

SMILES

C1CNCCC12CC3=CC=CC=C3[C@H]2N

InChI

InChI=1S/C13H18N2/c14-12-11-4-2-1-3-10(11)9-13(12)5-7-15-8-6-13/h1-4,12,15H,5-9,14H2/t12-/m1/s1

InChIKey

ONOKMILZEVKNEA-GFCCVEGCSA-N

Compound name

(1S)-spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 124
Patents: 202.147 Da
Monoisotopic Mass: 1.0
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]+	203.154276	146.1
[M+Na]+	225.136218	151.9
[M-H]-	201.139724	148.9
[M+NH4]+	220.180823	167.6
[M+K]+	241.110158	146.8
[M+H-H2O]+	185.144260	139.1
[M+HCOO]-	247.145201	163.3
[M+CH3COO]-	261.160851	157.2
[M+Na-2H]-	223.121666	150.9
[M]+	202.14645142	137.1
[M]-	202.14754858	137.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe