CID 3048858

Brn 5737133

Structural Information

Molecular Formula

C₁₁H₉NO₂

SMILES

C1CC12C(=O)C3=CC=CC=C3N2C=O

InChI

InChI=1S/C11H9NO2/c13-7-12-9-4-2-1-3-8(9)10(14)11(12)5-6-11/h1-4,7H,5-6H2

InChIKey

LYGPYMPCPHMGPE-UHFFFAOYSA-N

Compound name

3'-oxospiro[cyclopropane-1,2'-indole]-1'-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 187.06332 Da
Monoisotopic Mass: 1.2
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]+	188.07060	143.4
[M+Na]+	210.05254	157.7
[M+NH4]+	205.09714	154.3
[M+K]+	226.02648	152.1
[M-H]-	186.05604	152.6
[M+Na-2H]-	208.03799	152.6
[M]+	187.06277	149.3
[M]-	187.06387	149.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe