CID 3039209

42540-56-7

Structural Information

Molecular Formula

C₁₄H₁₇NO

SMILES

CC(=O)N1CC2(CCCC2)C3=CC=CC=C31

InChI

InChI=1S/C14H17NO/c1-11(16)15-10-14(8-4-5-9-14)12-6-2-3-7-13(12)15/h2-3,6-7H,4-5,8-10H2,1H3

InChIKey

WWXGSKCMGUTIOD-UHFFFAOYSA-N

Compound name

1-spiro[2H-indole-3,1'-cyclopentane]-1-ylethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 215.13101 Da
Monoisotopic Mass: 2.7
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]+	216.13829	151.9
[M+Na]+	238.12023	159.4
[M-H]-	214.12373	157.2
[M+NH4]+	233.16483	176.0
[M+K]+	254.09417	155.9
[M+H-H2O]+	198.12827	145.7
[M+HCOO]-	260.12921	171.5
[M+CH3COO]-	274.14486	164.5
[M+Na-2H]-	236.10568	154.0
[M]+	215.13046	149.0
[M]-	215.13156	149.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.