CID 84078445

1782267-00-8

Structural Information

Molecular Formula

C₁₁H₁₁NO

SMILES

C1CC12CNC(=O)C3=CC=CC=C23

InChI

InChI=1S/C11H11NO/c13-10-8-3-1-2-4-9(8)11(5-6-11)7-12-10/h1-4H,5-7H2,(H,12,13)

InChIKey

GEYULTDGKVFWAO-UHFFFAOYSA-N

Compound name

spiro[2,3-dihydroisoquinoline-4,1'-cyclopropane]-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 30
Patents: 173.08406 Da
Monoisotopic Mass: 1.5
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]+	174.09134	141.0
[M+Na]+	196.07328	151.2
[M-H]-	172.07678	145.7
[M+NH4]+	191.11788	157.7
[M+K]+	212.04722	147.0
[M+H-H2O]+	156.08132	134.6
[M+HCOO]-	218.08226	159.5
[M+CH3COO]-	232.09791	153.4
[M+Na-2H]-	194.05873	149.4
[M]+	173.08351	139.5
[M]-	173.08461	139.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe