CID 58386570

1203682-08-9

Structural Information

Molecular Formula

C₁₁H₁₃N

SMILES

C1CC12CNCC3=CC=CC=C23

InChI

InChI=1S/C11H13N/c1-2-4-10-9(3-1)7-12-8-11(10)5-6-11/h1-4,12H,5-8H2

InChIKey

XGVQNSPZJDXCET-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 41
Patents: 159.1048 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]+	160.11208	138.3
[M+Na]+	182.09402	153.2
[M+NH4]+	177.13862	150.7
[M+K]+	198.06796	144.7
[M-H]-	158.09752	149.0
[M+Na-2H]-	180.07947	149.4
[M]+	159.10425	144.8
[M]-	159.10535	144.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe