CID 86323238

(3s)-1-(4-aminophenyl)pyrrolidin-3-ol

Structural Information

Molecular Formula

C₁₀H₁₄N₂O

SMILES

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

InChI

InChI=1S/C10H14N2O/c11-8-1-3-9(4-2-8)12-6-5-10(13)7-12/h1-4,10,13H,5-7,11H2/t10-/m0/s1

InChIKey

QSXNLJITQBHSMT-JTQLQIEISA-N

Compound name

(3S)-1-(4-aminophenyl)pyrrolidin-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
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]+	179.117886	138.2
[M+Na]+	201.099828	144.9
[M-H]-	177.103334	141.8
[M+NH4]+	196.144433	157.5
[M+K]+	217.073768	141.7
[M+H-H2O]+	161.107870	131.3
[M+HCOO]-	223.108811	159.7
[M+CH3COO]-	237.124461	179.1
[M+Na-2H]-	199.085276	141.4
[M]+	178.11006142	132.9
[M]-	178.11115858	132.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe