CID 1514330

303111-43-5

Structural Information

Molecular Formula

C₁₂H₁₇NO

SMILES

C1CN(C[C@@H]1CO)CC2=CC=CC=C2

InChI

InChI=1S/C12H17NO/c14-10-12-6-7-13(9-12)8-11-4-2-1-3-5-11/h1-5,12,14H,6-10H2/t12-/m1/s1

InChIKey

QPQQBJDSKDWQMJ-GFCCVEGCSA-N

Compound name

[(3R)-1-benzylpyrrolidin-3-yl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 323
Patents: 191.13101 Da
Monoisotopic Mass: 1.5
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]+	192.138286	143.6
[M+Na]+	214.120228	149.4
[M-H]-	190.123734	147.0
[M+NH4]+	209.164833	162.7
[M+K]+	230.094168	146.1
[M+H-H2O]+	174.128270	136.4
[M+HCOO]-	236.129211	164.0
[M+CH3COO]-	250.144861	179.8
[M+Na-2H]-	212.105676	147.0
[M]+	191.13046142	140.3
[M]-	191.13155858	140.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe