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

74
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 163.7
[M+Na]+ 302.09992 172.7
[M+NH4]+ 297.14452 169.0
[M+K]+ 318.07386 170.8
[M-H]- 278.10342 163.7
[M+Na-2H]- 300.08537 167.0
[M]+ 279.11015 164.5
[M]- 279.11125 164.5
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