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: 312
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]+	192.13829	144.6
[M+Na]+	214.12023	156.3
[M+NH4]+	209.16483	153.5
[M+K]+	230.09417	150.9
[M-H]-	190.12373	147.7
[M+Na-2H]-	212.10568	151.4
[M]+	191.13046	147.0
[M]-	191.13156	147.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe