CID 45791755

(2-phenyloxan-3-yl)methanamine

Structural Information

Molecular Formula

C₁₂H₁₇NO

SMILES

C1CC(C(OC1)C2=CC=CC=C2)CN

InChI

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

InChIKey

PFCSXYMDUSDGAZ-UHFFFAOYSA-N

Compound name

(2-phenyloxan-3-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
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	143.9
[M+Na]+	214.12023	156.3
[M+NH4]+	209.16483	153.4
[M+K]+	230.09417	149.1
[M-H]-	190.12373	150.5
[M+Na-2H]-	212.10568	151.5
[M]+	191.13046	147.5
[M]-	191.13156	147.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe