CID 2733875

(s)-(-)-1-benzyl-3-pyrrolidinol

Structural Information

Molecular Formula

C₁₁H₁₅NO

SMILES

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

InChI

InChI=1S/C11H15NO/c13-11-6-7-12(9-11)8-10-4-2-1-3-5-10/h1-5,11,13H,6-9H2/t11-/m0/s1

InChIKey

YQMXOIAIYXXXEE-NSHDSACASA-N

Compound name

(3S)-1-benzylpyrrolidin-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 6370
Patents: 177.11537 Da
Monoisotopic Mass: 1.3
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	139.0
[M+Na]+	200.10459	145.3
[M-H]-	176.10809	142.6
[M+NH4]+	195.14919	158.7
[M+K]+	216.07853	142.3
[M+H-H2O]+	160.11263	132.0
[M+HCOO]-	222.11357	159.7
[M+CH3COO]-	236.12922	176.8
[M+Na-2H]-	198.09004	142.9
[M]+	177.11482	135.4
[M]-	177.11592	135.4

Literature stripe

literature stripe

Patent stripe

patents stripe