CID 53427195

Dtxsid60699474

Structural Information

Molecular Formula

C₁₁H₁₅NO₃

SMILES

C1=CC=C(C=C1)C2C(C(C(N2)CO)O)O

InChI

InChI=1S/C11H15NO3/c13-6-8-10(14)11(15)9(12-8)7-4-2-1-3-5-7/h1-5,8-15H,6H2

InChIKey

VXZYWQYETUQRMH-UHFFFAOYSA-N

Compound name

2-(hydroxymethyl)-5-phenylpyrrolidine-3,4-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 209.1052 Da
Monoisotopic Mass: -0.2
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]+	210.112476	146.3
[M+Na]+	232.094418	152.9
[M-H]-	208.097924	146.5
[M+NH4]+	227.139023	163.0
[M+K]+	248.068358	148.3
[M+H-H2O]+	192.102460	140.3
[M+HCOO]-	254.103401	162.8
[M+CH3COO]-	268.119051	176.0
[M+Na-2H]-	230.079866	147.5
[M]+	209.10465142	140.8
[M]-	209.10574858	140.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe