CID 11863649

181657-56-7

Structural Information

Molecular Formula

C₁₂H₁₇NO

SMILES

C1C[C@H]([C@@H](C1)OCC2=CC=CC=C2)N

InChI

InChI=1S/C12H17NO/c13-11-7-4-8-12(11)14-9-10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-9,13H2/t11-,12-/m1/s1

InChIKey

JIMSXLUBRRQALI-VXGBXAGGSA-N

Compound name

(1R,2R)-2-phenylmethoxycyclopentan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 460
Patents: 191.13101 Da
Monoisotopic Mass: 1.6
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	142.7
[M+Na]+	214.12023	148.1
[M-H]-	190.12373	148.4
[M+NH4]+	209.16483	163.3
[M+K]+	230.09417	145.3
[M+H-H2O]+	174.12827	136.0
[M+HCOO]-	236.12921	166.3
[M+CH3COO]-	250.14486	183.9
[M+Na-2H]-	212.10568	146.1
[M]+	191.13046	139.1
[M]-	191.13156	139.1

Literature stripe

literature stripe

Patent stripe

patents stripe