CID 6483779

14006-32-7

Structural Information

Molecular Formula

C₁₂H₁₇NO

SMILES

C1COCCC1(CN)C2=CC=CC=C2

InChI

InChI=1S/C12H17NO/c13-10-12(6-8-14-9-7-12)11-4-2-1-3-5-11/h1-5H,6-10,13H2

InChIKey

IPYDNTFWMDEOBW-UHFFFAOYSA-N

Compound name

(4-phenyloxan-4-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 58
Patents: 191.13101 Da
Monoisotopic Mass: 1.4
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]+	192.13829	144.3
[M+Na]+	214.12023	156.4
[M+NH4]+	209.16483	155.2
[M+K]+	230.09417	147.4
[M-H]-	190.12373	150.8
[M+Na-2H]-	212.10568	153.6
[M]+	191.13046	148.0
[M]-	191.13156	148.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe