CID 55253166

1803595-89-2

Structural Information

Molecular Formula

C₁₂H₁₅NO

SMILES

COC1=CC2=C(CNCC23CC3)C=C1

InChI

InChI=1S/C12H15NO/c1-14-10-3-2-9-7-13-8-12(4-5-12)11(9)6-10/h2-3,6,13H,4-5,7-8H2,1H3

InChIKey

YZRYNJIQEPUEAY-UHFFFAOYSA-N

Compound name

6-methoxyspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 189.11537 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]+	190.122646	145.8
[M+Na]+	212.104588	155.3
[M-H]-	188.108094	150.4
[M+NH4]+	207.149193	162.0
[M+K]+	228.078528	151.6
[M+H-H2O]+	172.112630	139.2
[M+HCOO]-	234.113571	163.9
[M+CH3COO]-	248.129221	157.8
[M+Na-2H]-	210.090036	153.8
[M]+	189.11482142	145.4
[M]-	189.11591858	145.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe