CID 393480

Nsc695553

Structural Information

Molecular Formula

C₁₅H₁₈N₂O₂

SMILES

C1CCN(C1)CCOC(=O)C2=CC3=CC=CC=C3N2

InChI

InChI=1S/C15H18N2O2/c18-15(19-10-9-17-7-3-4-8-17)14-11-12-5-1-2-6-13(12)16-14/h1-2,5-6,11,16H,3-4,7-10H2

InChIKey

VMFWCCVHKRFNDN-UHFFFAOYSA-N

Compound name

2-pyrrolidin-1-ylethyl 1H-indole-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 258.13684 Da
Monoisotopic Mass: 3.3
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]+	259.144116	159.7
[M+Na]+	281.126058	166.3
[M-H]-	257.129564	163.3
[M+NH4]+	276.170663	177.4
[M+K]+	297.099998	162.3
[M+H-H2O]+	241.134100	151.7
[M+HCOO]-	303.135041	179.2
[M+CH3COO]-	317.150691	170.9
[M+Na-2H]-	279.111506	161.3
[M]+	258.13629142	159.1
[M]-	258.13738858	159.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe