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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.11248 146.3
[M+Na]+ 232.09442 152.9
[M-H]- 208.09792 146.5
[M+NH4]+ 227.13902 163.0
[M+K]+ 248.06836 148.3
[M+H-H2O]+ 192.10246 140.3
[M+HCOO]- 254.10340 162.8
[M+CH3COO]- 268.11905 176.0
[M+Na-2H]- 230.07987 147.5
[M]+ 209.10465 140.8
[M]- 209.10575 140.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.