CID 53408245

1220033-92-0

Structural Information

Molecular Formula

C₁₁H₁₆N₂O

SMILES

C1CN(CC1O)C2=CC=CC=C2CN

InChI

InChI=1S/C11H16N2O/c12-7-9-3-1-2-4-11(9)13-6-5-10(14)8-13/h1-4,10,14H,5-8,12H2

InChIKey

LTBPBFJZHZJYOR-UHFFFAOYSA-N

Compound name

1-[2-(aminomethyl)phenyl]pyrrolidin-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 192.12627 Da
Monoisotopic Mass: 0.4
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]+	193.13355	143.5
[M+Na]+	215.11549	154.1
[M+NH4]+	210.16009	151.8
[M+K]+	231.08943	149.9
[M-H]-	191.11899	146.7
[M+Na-2H]-	213.10094	149.5
[M]+	192.12572	145.6
[M]-	192.12682	145.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe