CID 62918380

1-(3-aminophenyl)pyrrolidin-3-ol

Structural Information

Molecular Formula

C₁₀H₁₄N₂O

SMILES

C1CN(CC1O)C2=CC=CC(=C2)N

InChI

InChI=1S/C10H14N2O/c11-8-2-1-3-9(6-8)12-5-4-10(13)7-12/h1-3,6,10,13H,4-5,7,11H2

InChIKey

PLMUGPQUDAZDDK-UHFFFAOYSA-N

Compound name

1-(3-aminophenyl)pyrrolidin-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 178.11061 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]+	179.11789	138.2
[M+Na]+	201.09983	144.9
[M-H]-	177.10333	141.8
[M+NH4]+	196.14443	157.5
[M+K]+	217.07377	141.7
[M+H-H2O]+	161.10787	131.3
[M+HCOO]-	223.10881	159.7
[M+CH3COO]-	237.12446	179.1
[M+Na-2H]-	199.08528	141.4
[M]+	178.11006	132.9
[M]-	178.11116	132.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe