CID 3048859

Brn 5736578

Structural Information

Molecular Formula

C₁₁H₁₁NO

SMILES

CN1C2=CC=CC=C2C(=O)C13CC3

InChI

InChI=1S/C11H11NO/c1-12-9-5-3-2-4-8(9)10(13)11(12)6-7-11/h2-5H,6-7H2,1H3

InChIKey

LSFCXBLZHPRPCP-UHFFFAOYSA-N

Compound name

1'-methylspiro[cyclopropane-1,2'-indole]-3'-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 173.08406 Da
Monoisotopic Mass: 2.0
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	140.4
[M+Na]+	196.07328	152.8
[M-H]-	172.07678	147.1
[M+NH4]+	191.11788	159.9
[M+K]+	212.04722	148.9
[M+H-H2O]+	156.08132	134.7
[M+HCOO]-	218.08226	162.2
[M+CH3COO]-	232.09791	154.5
[M+Na-2H]-	194.05873	147.0
[M]+	173.08351	143.1
[M]-	173.08461	143.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe