CID 28418676

1019533-47-1

Structural Information

Molecular Formula

C₁₄H₁₈N₂O

SMILES

C1CCC(C1)C(=O)N2CCC3=C2C=C(C=C3)N

InChI

InChI=1S/C14H18N2O/c15-12-6-5-10-7-8-16(13(10)9-12)14(17)11-3-1-2-4-11/h5-6,9,11H,1-4,7-8,15H2

InChIKey

JYAZWZSSQVPWDK-UHFFFAOYSA-N

Compound name

(6-amino-2,3-dihydroindol-1-yl)-cyclopentylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 230.1419 Da
Monoisotopic Mass: 2.2
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]+	231.14918	154.0
[M+Na]+	253.13112	159.7
[M-H]-	229.13462	159.6
[M+NH4]+	248.17572	174.5
[M+K]+	269.10506	156.1
[M+H-H2O]+	213.13916	147.0
[M+HCOO]-	275.14010	174.0
[M+CH3COO]-	289.15575	165.7
[M+Na-2H]-	251.11657	153.7
[M]+	230.14135	148.9
[M]-	230.14245	148.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.