CID 11535990

Unii-3lw01v88b7

Structural Information

Molecular Formula
C12H17N3O2
SMILES
C1CCN(C1)C(=O)[C@@H]([C@H](C2=CC=NC=C2)O)N
InChI
InChI=1S/C12H17N3O2/c13-10(12(17)15-7-1-2-8-15)11(16)9-3-5-14-6-4-9/h3-6,10-11,16H,1-2,7-8,13H2/t10-,11+/m1/s1
InChIKey
GRZMKKUGHIECFK-MNOVXSKESA-N
Compound name
(2R,3S)-2-amino-3-hydroxy-3-pyridin-4-yl-1-pyrrolidin-1-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

87
Patents

235.13208 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.13936 154.4
[M+Na]+ 258.12130 157.7
[M-H]- 234.12480 155.9
[M+NH4]+ 253.16590 169.0
[M+K]+ 274.09524 155.5
[M+H-H2O]+ 218.12934 145.8
[M+HCOO]- 280.13028 171.3
[M+CH3COO]- 294.14593 189.0
[M+Na-2H]- 256.10675 154.5
[M]+ 235.13153 148.4
[M]- 235.13263 148.4
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

patents stripe