CID 10036605

188744-98-1

Structural Information

Molecular Formula
C11H15NO4
SMILES
C1=CC(=CC=C1[C@H]2[C@@H]([C@H]([C@@H](N2)CO)O)O)O
InChI
InChI=1S/C11H15NO4/c13-5-8-10(15)11(16)9(12-8)6-1-3-7(14)4-2-6/h1-4,8-16H,5H2/t8-,9-,10-,11-/m0/s1
InChIKey
BRPXIQPSCKPBLH-NAKRPEOUSA-N
Compound name
(2S,3S,4S,5S)-2-(hydroxymethyl)-5-(4-hydroxyphenyl)pyrrolidine-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

225.10011 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.10739 150.1
[M+Na]+ 248.08933 159.3
[M+NH4]+ 243.13393 155.8
[M+K]+ 264.06327 157.7
[M-H]- 224.09283 149.7
[M+Na-2H]- 246.07478 152.5
[M]+ 225.09956 150.8
[M]- 225.10066 150.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.