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

75
Patents

279.1107 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.11798 162.5
[M+Na]+ 302.09992 168.1
[M-H]- 278.10342 166.4
[M+NH4]+ 297.14452 177.9
[M+K]+ 318.07386 166.6
[M+H-H2O]+ 262.10796 155.1
[M+HCOO]- 324.10890 181.4
[M+CH3COO]- 338.12455 193.5
[M+Na-2H]- 300.08537 162.2
[M]+ 279.11015 163.2
[M]- 279.11125 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