CID 13192209

2307777-41-7

Structural Information

Molecular Formula

C₁₀H₁₃NO₂

SMILES

C1[C@H]([C@@H](CN1)OC2=CC=CC=C2)O

InChI

InChI=1S/C10H13NO2/c12-9-6-11-7-10(9)13-8-4-2-1-3-5-8/h1-5,9-12H,6-7H2/t9-,10-/m1/s1

InChIKey

KSSRVICONDWLSU-NXEZZACHSA-N

Compound name

(3R,4R)-4-phenoxypyrrolidin-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 179.09464 Da
Monoisotopic Mass: 0.7
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]+	180.101916	137.9
[M+Na]+	202.083858	144.1
[M-H]-	178.087364	140.3
[M+NH4]+	197.128463	156.7
[M+K]+	218.057798	140.9
[M+H-H2O]+	162.091900	131.2
[M+HCOO]-	224.092841	157.7
[M+CH3COO]-	238.108491	173.2
[M+Na-2H]-	200.069306	142.0
[M]+	179.09409142	133.5
[M]-	179.09518858	133.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe