CID 3048863

Brn 5547437

Structural Information

Molecular Formula

C₁₁H₁₁NO₃S

SMILES

CS(=O)(=O)N1C2=CC=CC=C2C(=O)C13CC3

InChI

InChI=1S/C11H11NO3S/c1-16(14,15)12-9-5-3-2-4-8(9)10(13)11(12)6-7-11/h2-5H,6-7H2,1H3

InChIKey

AYBKHRNXFXGXNV-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 237.04596 Da
Monoisotopic Mass: 1.0
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]+	238.05324	153.1
[M+Na]+	260.03518	165.8
[M-H]-	236.03868	159.8
[M+NH4]+	255.07978	170.5
[M+K]+	276.00912	161.8
[M+H-H2O]+	220.04322	148.6
[M+HCOO]-	282.04416	169.0
[M+CH3COO]-	296.05981	189.3
[M+Na-2H]-	258.02063	158.3
[M]+	237.04541	159.4
[M]-	237.04651	159.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe