CID 421187

Nsc 131377

Structural Information

Molecular Formula

C₁₅H₁₉NO

SMILES

C1CCN(CC1)CC2=CC3=CC=CC=C3OC2

InChI

InChI=1S/C15H19NO/c1-4-8-16(9-5-1)11-13-10-14-6-2-3-7-15(14)17-12-13/h2-3,6-7,10H,1,4-5,8-9,11-12H2

InChIKey

XELFDEFPMATMSQ-UHFFFAOYSA-N

Compound name

1-(2H-chromen-3-ylmethyl)piperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 229.14667 Da
Monoisotopic Mass: 2.5
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]+	230.153946	152.2
[M+Na]+	252.135888	156.7
[M-H]-	228.139394	157.5
[M+NH4]+	247.180493	167.9
[M+K]+	268.109828	153.9
[M+H-H2O]+	212.143930	143.4
[M+HCOO]-	274.144871	168.2
[M+CH3COO]-	288.160521	163.0
[M+Na-2H]-	250.121336	158.7
[M]+	229.14612142	147.4
[M]-	229.14721858	147.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe