CID 688413

57653-35-7

Structural Information

Molecular Formula
C14H17NO5
SMILES
COC(=O)[C@@H]1C[C@@H](CN1C(=O)OCC2=CC=CC=C2)O
InChI
InChI=1S/C14H17NO5/c1-19-13(17)12-7-11(16)8-15(12)14(18)20-9-10-5-3-2-4-6-10/h2-6,11-12,16H,7-9H2,1H3/t11-,12-/m0/s1
InChIKey
VVKAGQHUUDRPOI-RYUDHWBXSA-N
Compound name
1-O-benzyl 2-O-methyl (2S,4S)-4-hydroxypyrrolidine-1,2-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

86
Patents

279.1107 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.117976 162.5
[M+Na]+ 302.099918 168.1
[M-H]- 278.103424 166.4
[M+NH4]+ 297.144523 177.9
[M+K]+ 318.073858 166.6
[M+H-H2O]+ 262.107960 155.1
[M+HCOO]- 324.108901 181.4
[M+CH3COO]- 338.124551 193.5
[M+Na-2H]- 300.085366 162.2
[M]+ 279.11015142 163.2
[M]- 279.11124858 163.2
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

patents stripe