CID 1515

2-(4-aminophenyl)-5-(hydroxymethyl)pyrrolidine-3,4-diol

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]+ 225.12337 150.2
[M+Na]+ 247.10531 158.8
[M+NH4]+ 242.14991 156.2
[M+K]+ 263.07925 157.1
[M-H]- 223.10881 150.9
[M+Na-2H]- 245.09076 153.0
[M]+ 224.11554 151.1
[M]- 224.11664 151.1
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.