CID 83821668

2089256-02-8

Structural Information

Molecular Formula

C₁₄H₂₀N₂

SMILES

CN1CCC2(CC1)CNCC3=CC=CC=C23

InChI

InChI=1S/C14H20N2/c1-16-8-6-14(7-9-16)11-15-10-12-4-2-3-5-13(12)14/h2-5,15H,6-11H2,1H3

InChIKey

DTSIKRKXTOMFRO-UHFFFAOYSA-N

Compound name

1'-methylspiro[2,3-dihydro-1H-isoquinoline-4,4'-piperidine]

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 216.16264 Da
Monoisotopic Mass: 1.7
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]+	217.16992	152.4
[M+Na]+	239.15186	157.5
[M-H]-	215.15536	153.5
[M+NH4]+	234.19646	170.5
[M+K]+	255.12580	152.6
[M+H-H2O]+	199.15990	143.5
[M+HCOO]-	261.16084	165.1
[M+CH3COO]-	275.17649	162.1
[M+Na-2H]-	237.13731	158.6
[M]+	216.16209	143.5
[M]-	216.16319	143.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe