CID 20638815

2343964-05-4

Structural Information

Molecular Formula

C₁₁H₁₅NO

SMILES

C1[C@H]([C@@H](CN1)C2=CC=CC=C2)CO

InChI

InChI=1S/C11H15NO/c13-8-10-6-12-7-11(10)9-4-2-1-3-5-9/h1-5,10-13H,6-8H2/t10-,11-/m0/s1

InChIKey

MMDOXIYRYUVGPQ-QWRGUYRKSA-N

Compound name

[(3S,4R)-4-phenylpyrrolidin-3-yl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 177.11537 Da
Monoisotopic Mass: 0.9
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]+	178.12265	139.5
[M+Na]+	200.10459	145.4
[M-H]-	176.10809	141.8
[M+NH4]+	195.14919	158.5
[M+K]+	216.07853	141.4
[M+H-H2O]+	160.11263	132.8
[M+HCOO]-	222.11357	158.7
[M+CH3COO]-	236.12922	174.2
[M+Na-2H]-	198.09004	143.0
[M]+	177.11482	134.0
[M]-	177.11592	134.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe