CID 730204

1-cyclopropanecarbonyl-2,3-dihydro-1h-indole

Structural Information

Molecular Formula

C₁₂H₁₃NO

SMILES

C1CC1C(=O)N2CCC3=CC=CC=C32

InChI

InChI=1S/C12H13NO/c14-12(10-5-6-10)13-8-7-9-3-1-2-4-11(9)13/h1-4,10H,5-8H2

InChIKey

GDLNXGWSSKHZBZ-UHFFFAOYSA-N

Compound name

cyclopropyl(2,3-dihydroindol-1-yl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 12
Patents: 187.09972 Da
Monoisotopic Mass: 1.8
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]+	188.106996	142.4
[M+Na]+	210.088938	151.8
[M-H]-	186.092444	149.2
[M+NH4]+	205.133543	158.6
[M+K]+	226.062878	147.9
[M+H-H2O]+	170.096980	135.5
[M+HCOO]-	232.097921	163.6
[M+CH3COO]-	246.113571	155.3
[M+Na-2H]-	208.074386	146.8
[M]+	187.09917142	143.4
[M]-	187.10026858	143.4

Literature stripe

literature stripe

Patent stripe

patents stripe