CID 58386060

1224172-60-4

Structural Information

Molecular Formula
C13H18N2O3
SMILES
CN[C@@H]1CN(C[C@H]1O)C(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C13H18N2O3/c1-14-11-7-15(8-12(11)16)13(17)18-9-10-5-3-2-4-6-10/h2-6,11-12,14,16H,7-9H2,1H3/t11-,12-/m1/s1
InChIKey
DFHWAMADCHWXNC-VXGBXAGGSA-N
Compound name
benzyl (3R,4R)-3-hydroxy-4-(methylamino)pyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

250.13174 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.139016 157.0
[M+Na]+ 273.120958 162.2
[M-H]- 249.124464 160.8
[M+NH4]+ 268.165563 173.4
[M+K]+ 289.094898 159.7
[M+H-H2O]+ 233.129000 149.3
[M+HCOO]- 295.129941 177.7
[M+CH3COO]- 309.145591 191.8
[M+Na-2H]- 271.106406 158.6
[M]+ 250.13119142 155.1
[M]- 250.13228858 155.1
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

patents stripe