CID 1515

3,4-pyrrolidinediol, 2-(4-aminophenyl)-5-(hydroxymethyl)-, (2s,3s,4r,5r)-

Structural Information

Molecular Formula
C11H16N2O3
SMILES
C1=CC(=CC=C1C2C(C(C(N2)CO)O)O)N
InChI
InChI=1S/C11H16N2O3/c12-7-3-1-6(2-4-7)9-11(16)10(15)8(5-14)13-9/h1-4,8-11,13-16H,5,12H2
InChIKey
SQENVZNKXLCDLF-UHFFFAOYSA-N
Compound name
2-(4-aminophenyl)-5-(hydroxymethyl)pyrrolidine-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.11609 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.123366 149.9
[M+Na]+ 247.105308 156.5
[M-H]- 223.108814 150.1
[M+NH4]+ 242.149913 165.7
[M+K]+ 263.079248 151.7
[M+H-H2O]+ 207.113350 143.7
[M+HCOO]- 269.114291 166.8
[M+CH3COO]- 283.129941 182.2
[M+Na-2H]- 245.090756 150.0
[M]+ 224.11554142 143.2
[M]- 224.11663858 143.2
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.