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]+ 251.13902 157.0
[M+Na]+ 273.12096 162.2
[M-H]- 249.12446 160.8
[M+NH4]+ 268.16556 173.4
[M+K]+ 289.09490 159.7
[M+H-H2O]+ 233.12900 149.3
[M+HCOO]- 295.12994 177.7
[M+CH3COO]- 309.14559 191.8
[M+Na-2H]- 271.10641 158.6
[M]+ 250.13119 155.1
[M]- 250.13229 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