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: 1
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]+	230.15395	153.9
[M+Na]+	252.13589	168.1
[M+NH4]+	247.18049	164.0
[M+K]+	268.10983	159.6
[M-H]-	228.13939	160.5
[M+Na-2H]-	250.12134	161.6
[M]+	229.14612	157.9
[M]-	229.14722	157.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe