CID 43224

52157-82-1

Structural Information

Molecular Formula

C₁₄H₁₈N₂O

SMILES

COC1=CC2=C(C=C1)NC=C2C3CCNCC3

InChI

InChI=1S/C14H18N2O/c1-17-11-2-3-14-12(8-11)13(9-16-14)10-4-6-15-7-5-10/h2-3,8-10,15-16H,4-7H2,1H3

InChIKey

KRDQQMGVPDMSNR-UHFFFAOYSA-N

Compound name

5-methoxy-3-piperidin-4-yl-1H-indole

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 123
Patents: 230.1419 Da
Monoisotopic Mass: 2.1
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	152.3
[M+Na]+	253.13112	159.2
[M-H]-	229.13462	154.2
[M+NH4]+	248.17572	168.9
[M+K]+	269.10506	153.5
[M+H-H2O]+	213.13916	144.3
[M+HCOO]-	275.14010	169.0
[M+CH3COO]-	289.15575	163.1
[M+Na-2H]-	251.11657	156.3
[M]+	230.14135	147.6
[M]-	230.14245	147.6

Literature stripe

literature stripe

Patent stripe

patents stripe