CID 211354

22930-55-8

Structural Information

Molecular Formula

C₁₅H₁₈N₂O₂

SMILES

COC1=CC2=C(C=C1)NC(=C2)C(=O)N3CCCCC3

InChI

InChI=1S/C15H18N2O2/c1-19-12-5-6-13-11(9-12)10-14(16-13)15(18)17-7-3-2-4-8-17/h5-6,9-10,16H,2-4,7-8H2,1H3

InChIKey

WNUGVHMANDXOOZ-UHFFFAOYSA-N

Compound name

(5-methoxy-1H-indol-2-yl)-piperidin-1-ylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 258.13684 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]+	259.144116	159.3
[M+Na]+	281.126058	166.0
[M-H]-	257.129564	162.6
[M+NH4]+	276.170663	175.3
[M+K]+	297.099998	161.6
[M+H-H2O]+	241.134100	150.9
[M+HCOO]-	303.135041	176.5
[M+CH3COO]-	317.150691	170.1
[M+Na-2H]-	279.111506	162.0
[M]+	258.13629142	156.8
[M]-	258.13738858	156.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe